Found 116 hits with Last Name = 'franzyk' and Initial = 'h' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50329477
((S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515186
(CHEMBL4462550)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C28H47N5O2/c29-17-9-20-30-18-7-8-19-31-21-10-22-32-28(35)26(23-25-13-5-2-6-14-25)33-27(34)16-15-24-11-3-1-4-12-24/h1,3-4,11-12,15-16,25-26,30-31H,2,5-10,13-14,17-23,29H2,(H,32,35)(H,33,34)/b16-15+/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515196
(CHEMBL4454232)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H45N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h2,5-6,13-14,22,24,28-29H,1,3-4,7-12,15-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515192
(CHEMBL4556075)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H45N5O3/c27-14-6-17-28-15-4-5-16-29-18-7-19-30-26(34)24(20-21-10-12-23(32)13-11-21)31-25(33)22-8-2-1-3-9-22/h10-13,22,24,28-29,32H,1-9,14-20,27H2,(H,30,34)(H,31,33)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515195
(CHEMBL4443845)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCCC1 |r| Show InChI InChI=1S/C27H53N5O2/c28-16-10-19-29-17-8-9-18-30-20-11-21-31-27(34)25(22-23-12-4-3-5-13-23)32-26(33)24-14-6-1-2-7-15-24/h23-25,29-30H,1-22,28H2,(H,31,34)(H,32,33)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515185
(CHEMBL4585225)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCC1 |r| Show InChI InChI=1S/C25H43N5O3/c26-13-5-16-27-14-3-4-15-28-17-6-18-29-25(33)23(19-20-9-11-22(31)12-10-20)30-24(32)21-7-1-2-8-21/h9-12,21,23,27-28,31H,1-8,13-19,26H2,(H,29,33)(H,30,32)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515189
(CHEMBL4463134)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCC1 |r| Show InChI InChI=1S/C25H49N5O2/c26-14-8-17-27-15-6-7-16-28-18-9-19-29-25(32)23(20-21-10-2-1-3-11-21)30-24(31)22-12-4-5-13-22/h21-23,27-28H,1-20,26H2,(H,29,32)(H,30,31)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515188
(CHEMBL4531333)Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNC[C@@H]1C[C@H]1CNCCCN |r| Show InChI InChI=1S/C24H41N5O3/c1-2-5-23(31)29-22(14-18-6-8-21(30)9-7-18)24(32)28-13-4-12-27-17-20-15-19(20)16-26-11-3-10-25/h6-9,19-20,22,26-27,30H,2-5,10-17,25H2,1H3,(H,28,32)(H,29,31)/t19-,20-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515187
(CHEMBL425006)Show SMILES CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C23H41N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h3-5,11-12,21,25-26H,2,6-10,13-19,24H2,1H3,(H,27,30)(H,28,29)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515190
(CHEMBL4440025)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC1CC2CCC1C2 |r| Show InChI InChI=1S/C28H53N5O2/c29-12-6-15-30-13-4-5-14-31-16-7-17-32-28(35)26(20-22-8-2-1-3-9-22)33-27(34)21-25-19-23-10-11-24(25)18-23/h22-26,30-31H,1-21,29H2,(H,32,35)(H,33,34)/t23?,24?,25?,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515194
(CHEMBL4559471)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCC1 |r| Show InChI InChI=1S/C24H47N5O2/c25-13-7-16-26-14-4-5-15-27-17-8-18-28-24(31)22(19-20-9-2-1-3-10-20)29-23(30)21-11-6-12-21/h20-22,26-27H,1-19,25H2,(H,28,31)(H,29,30)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515193
(CHEMBL4518954)Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNC[C@H]1C[C@H]1CNCCCN |r| Show InChI InChI=1S/C24H41N5O3/c1-2-5-23(31)29-22(14-18-6-8-21(30)9-7-18)24(32)28-13-4-12-27-17-20-15-19(20)16-26-11-3-10-25/h6-9,19-20,22,26-27,30H,2-5,10-17,25H2,1H3,(H,28,32)(H,29,31)/t19-,20+,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50515191
(CHEMBL371789)Show SMILES CCCC(=O)N[C@@H](CCc1ccccc1)C(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C24H43N5O2/c1-2-10-23(30)29-22(14-13-21-11-4-3-5-12-21)24(31)28-20-9-19-27-17-7-6-16-26-18-8-15-25/h3-5,11-12,22,26-27H,2,6-10,13-20,25H2,1H3,(H,28,31)(H,29,30)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50329475
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50329473
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r| Show InChI InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50329473
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r| Show InChI InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50329474
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50329476
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)/t30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515189
(CHEMBL4463134)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCC1 |r| Show InChI InChI=1S/C25H49N5O2/c26-14-8-17-27-15-6-7-16-28-18-9-19-29-25(32)23(20-21-10-2-1-3-11-21)30-24(31)22-12-4-5-13-22/h21-23,27-28H,1-20,26H2,(H,29,32)(H,30,31)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50094298
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238903
(CHEMBL4077102)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(19.68,-19.15,;18.37,-18.39,;17.04,-19.16,;17.04,-20.7,;18.37,-21.47,;15.69,-18.39,;15.68,-16.86,;14.35,-16.1,;13.03,-16.87,;11.69,-16.1,;11.69,-14.05,;10.34,-13.29,;10.34,-11.75,;11.67,-10.96,;13,-11.74,;13,-13.27,;14.33,-14.05,;14.33,-15.6,;15.69,-13.27,;17.04,-14.05,;17.04,-15.6,;18.36,-16.37,;18.36,-17.9,;19.69,-18.67,;21.02,-17.9,;18.38,-13.27,;18.38,-11.7,;19.71,-14.05,;19.72,-15.58,;21.06,-16.34,;22.38,-15.57,;22.39,-14.03,;23.72,-16.34,;25.04,-15.57,;25.04,-14.02,;26.38,-13.24,;26.37,-11.7,;27.7,-10.93,;27.7,-9.4,;26.38,-16.33,;26.39,-17.87,;27.71,-15.56,;29.04,-16.33,;29.05,-17.86,;30.39,-18.62,;31.72,-17.85,;30.39,-20.16,;31.72,-20.93,;33.05,-20.16,;34.38,-20.92,;35.72,-20.15,;37.05,-20.92,;38.37,-20.14,;31.73,-22.46,;30.4,-23.24,;33.06,-23.23,;33.06,-24.77,;31.73,-25.54,;31.74,-27.08,;33.07,-27.84,;30.41,-27.85,;30.41,-29.39,;31.75,-30.16,;31.75,-31.7,;33.09,-32.47,;34.42,-31.7,;35.76,-32.46,;29.08,-30.17,;27.74,-29.4,;29.08,-31.71,;30.42,-32.48,;30.43,-34.02,;29.09,-34.79,;27.75,-34.02,;29.09,-36.33,;27.76,-37.11,;26.42,-36.34,;25.08,-37.11,;23.75,-36.35,;22.42,-37.12,;21.08,-36.35,;27.76,-38.65,;29.1,-39.42,;26.43,-39.42,;26.43,-40.97,;25.1,-41.74,;25.1,-43.28,;26.44,-44.05,;23.77,-44.06,;23.77,-45.6,;25.11,-46.36,;25.11,-47.91,;26.45,-48.67,;27.78,-47.9,;29.12,-48.67,;22.44,-46.37,;21.11,-45.6,;22.44,-47.91,;23.78,-48.68,;23.78,-50.22,;25.12,-50.99,;25.12,-52.53,;26.46,-50.22,;21.11,-48.69,;19.77,-47.92,;19.77,-46.38,;18.44,-45.61,;17.11,-46.38,;15.77,-45.62,;17.11,-47.93,;18.45,-48.69,;25.09,-38.66,;23.76,-39.43,;22.42,-38.66,;21.09,-39.43,;21.09,-40.97,;19.76,-41.75,;22.44,-41.74,;23.76,-40.96,;27.75,-32.48,;26.41,-31.72,;26.42,-30.17,;25.08,-29.41,;23.74,-30.18,;22.4,-29.41,;23.75,-31.73,;25.09,-32.49,;34.39,-22.46,;35.72,-23.22,;35.72,-24.76,;37.06,-25.53,;38.39,-24.76,;39.73,-25.52,;38.37,-23.21,;37.05,-22.45,;27.71,-14.02,;29.04,-13.24,;29.03,-11.7,;30.35,-10.93,;31.7,-11.7,;33.03,-10.92,;31.7,-13.24,;30.37,-14.02,;21.05,-13.27,;21.05,-11.72,;19.71,-10.98,;19.7,-9.44,;21.04,-8.65,;21.04,-7.11,;22.38,-9.43,;22.38,-10.96,;10.36,-16.89,;9.03,-16.13,;7.71,-16.91,;7.73,-18.45,;9.04,-19.2,;10.37,-18.43,;11.72,-19.19,;13.04,-18.41,;14.37,-19.17,;6.39,-19.21,;6.39,-20.75,;5.04,-21.52,;5.04,-18.45,;3.7,-19.21,)| Show InChI InChI=1S/C124H163F6N21O14/c1-5-144(6-2)97-55-57-101-109(77-97)165-110-78-98(145(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(158)143-108(30-16-22-70-136)124(164)151(84-90-41-53-96(130)54-42-90)76-64-116(157)142-107(29-15-21-69-135)123(163)150(83-89-39-51-95(129)52-40-89)75-63-115(156)141-106(28-14-20-68-134)122(162)149(82-88-37-49-94(128)50-38-88)74-62-114(155)140-105(27-13-19-67-133)121(161)148(81-87-35-47-93(127)48-36-87)73-61-113(154)139-104(26-12-18-66-132)120(160)147(80-86-33-45-92(126)46-34-86)72-60-112(153)138-103(25-11-17-65-131)119(159)146(71-59-111(137)152)79-85-31-43-91(125)44-32-85/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,131-136H2,1-4H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238903
(CHEMBL4077102)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(19.68,-19.15,;18.37,-18.39,;17.04,-19.16,;17.04,-20.7,;18.37,-21.47,;15.69,-18.39,;15.68,-16.86,;14.35,-16.1,;13.03,-16.87,;11.69,-16.1,;11.69,-14.05,;10.34,-13.29,;10.34,-11.75,;11.67,-10.96,;13,-11.74,;13,-13.27,;14.33,-14.05,;14.33,-15.6,;15.69,-13.27,;17.04,-14.05,;17.04,-15.6,;18.36,-16.37,;18.36,-17.9,;19.69,-18.67,;21.02,-17.9,;18.38,-13.27,;18.38,-11.7,;19.71,-14.05,;19.72,-15.58,;21.06,-16.34,;22.38,-15.57,;22.39,-14.03,;23.72,-16.34,;25.04,-15.57,;25.04,-14.02,;26.38,-13.24,;26.37,-11.7,;27.7,-10.93,;27.7,-9.4,;26.38,-16.33,;26.39,-17.87,;27.71,-15.56,;29.04,-16.33,;29.05,-17.86,;30.39,-18.62,;31.72,-17.85,;30.39,-20.16,;31.72,-20.93,;33.05,-20.16,;34.38,-20.92,;35.72,-20.15,;37.05,-20.92,;38.37,-20.14,;31.73,-22.46,;30.4,-23.24,;33.06,-23.23,;33.06,-24.77,;31.73,-25.54,;31.74,-27.08,;33.07,-27.84,;30.41,-27.85,;30.41,-29.39,;31.75,-30.16,;31.75,-31.7,;33.09,-32.47,;34.42,-31.7,;35.76,-32.46,;29.08,-30.17,;27.74,-29.4,;29.08,-31.71,;30.42,-32.48,;30.43,-34.02,;29.09,-34.79,;27.75,-34.02,;29.09,-36.33,;27.76,-37.11,;26.42,-36.34,;25.08,-37.11,;23.75,-36.35,;22.42,-37.12,;21.08,-36.35,;27.76,-38.65,;29.1,-39.42,;26.43,-39.42,;26.43,-40.97,;25.1,-41.74,;25.1,-43.28,;26.44,-44.05,;23.77,-44.06,;23.77,-45.6,;25.11,-46.36,;25.11,-47.91,;26.45,-48.67,;27.78,-47.9,;29.12,-48.67,;22.44,-46.37,;21.11,-45.6,;22.44,-47.91,;23.78,-48.68,;23.78,-50.22,;25.12,-50.99,;25.12,-52.53,;26.46,-50.22,;21.11,-48.69,;19.77,-47.92,;19.77,-46.38,;18.44,-45.61,;17.11,-46.38,;15.77,-45.62,;17.11,-47.93,;18.45,-48.69,;25.09,-38.66,;23.76,-39.43,;22.42,-38.66,;21.09,-39.43,;21.09,-40.97,;19.76,-41.75,;22.44,-41.74,;23.76,-40.96,;27.75,-32.48,;26.41,-31.72,;26.42,-30.17,;25.08,-29.41,;23.74,-30.18,;22.4,-29.41,;23.75,-31.73,;25.09,-32.49,;34.39,-22.46,;35.72,-23.22,;35.72,-24.76,;37.06,-25.53,;38.39,-24.76,;39.73,-25.52,;38.37,-23.21,;37.05,-22.45,;27.71,-14.02,;29.04,-13.24,;29.03,-11.7,;30.35,-10.93,;31.7,-11.7,;33.03,-10.92,;31.7,-13.24,;30.37,-14.02,;21.05,-13.27,;21.05,-11.72,;19.71,-10.98,;19.7,-9.44,;21.04,-8.65,;21.04,-7.11,;22.38,-9.43,;22.38,-10.96,;10.36,-16.89,;9.03,-16.13,;7.71,-16.91,;7.73,-18.45,;9.04,-19.2,;10.37,-18.43,;11.72,-19.19,;13.04,-18.41,;14.37,-19.17,;6.39,-19.21,;6.39,-20.75,;5.04,-21.52,;5.04,-18.45,;3.7,-19.21,)| Show InChI InChI=1S/C124H163F6N21O14/c1-5-144(6-2)97-55-57-101-109(77-97)165-110-78-98(145(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(158)143-108(30-16-22-70-136)124(164)151(84-90-41-53-96(130)54-42-90)76-64-116(157)142-107(29-15-21-69-135)123(163)150(83-89-39-51-95(129)52-40-89)75-63-115(156)141-106(28-14-20-68-134)122(162)149(82-88-37-49-94(128)50-38-88)74-62-114(155)140-105(27-13-19-67-133)121(161)148(81-87-35-47-93(127)48-36-87)73-61-113(154)139-104(26-12-18-66-132)120(160)147(80-86-33-45-92(126)46-34-86)72-60-112(153)138-103(25-11-17-65-131)119(159)146(71-59-111(137)152)79-85-31-43-91(125)44-32-85/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,131-136H2,1-4H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238903
(CHEMBL4077102)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)Cc3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(19.68,-19.15,;18.37,-18.39,;17.04,-19.16,;17.04,-20.7,;18.37,-21.47,;15.69,-18.39,;15.68,-16.86,;14.35,-16.1,;13.03,-16.87,;11.69,-16.1,;11.69,-14.05,;10.34,-13.29,;10.34,-11.75,;11.67,-10.96,;13,-11.74,;13,-13.27,;14.33,-14.05,;14.33,-15.6,;15.69,-13.27,;17.04,-14.05,;17.04,-15.6,;18.36,-16.37,;18.36,-17.9,;19.69,-18.67,;21.02,-17.9,;18.38,-13.27,;18.38,-11.7,;19.71,-14.05,;19.72,-15.58,;21.06,-16.34,;22.38,-15.57,;22.39,-14.03,;23.72,-16.34,;25.04,-15.57,;25.04,-14.02,;26.38,-13.24,;26.37,-11.7,;27.7,-10.93,;27.7,-9.4,;26.38,-16.33,;26.39,-17.87,;27.71,-15.56,;29.04,-16.33,;29.05,-17.86,;30.39,-18.62,;31.72,-17.85,;30.39,-20.16,;31.72,-20.93,;33.05,-20.16,;34.38,-20.92,;35.72,-20.15,;37.05,-20.92,;38.37,-20.14,;31.73,-22.46,;30.4,-23.24,;33.06,-23.23,;33.06,-24.77,;31.73,-25.54,;31.74,-27.08,;33.07,-27.84,;30.41,-27.85,;30.41,-29.39,;31.75,-30.16,;31.75,-31.7,;33.09,-32.47,;34.42,-31.7,;35.76,-32.46,;29.08,-30.17,;27.74,-29.4,;29.08,-31.71,;30.42,-32.48,;30.43,-34.02,;29.09,-34.79,;27.75,-34.02,;29.09,-36.33,;27.76,-37.11,;26.42,-36.34,;25.08,-37.11,;23.75,-36.35,;22.42,-37.12,;21.08,-36.35,;27.76,-38.65,;29.1,-39.42,;26.43,-39.42,;26.43,-40.97,;25.1,-41.74,;25.1,-43.28,;26.44,-44.05,;23.77,-44.06,;23.77,-45.6,;25.11,-46.36,;25.11,-47.91,;26.45,-48.67,;27.78,-47.9,;29.12,-48.67,;22.44,-46.37,;21.11,-45.6,;22.44,-47.91,;23.78,-48.68,;23.78,-50.22,;25.12,-50.99,;25.12,-52.53,;26.46,-50.22,;21.11,-48.69,;19.77,-47.92,;19.77,-46.38,;18.44,-45.61,;17.11,-46.38,;15.77,-45.62,;17.11,-47.93,;18.45,-48.69,;25.09,-38.66,;23.76,-39.43,;22.42,-38.66,;21.09,-39.43,;21.09,-40.97,;19.76,-41.75,;22.44,-41.74,;23.76,-40.96,;27.75,-32.48,;26.41,-31.72,;26.42,-30.17,;25.08,-29.41,;23.74,-30.18,;22.4,-29.41,;23.75,-31.73,;25.09,-32.49,;34.39,-22.46,;35.72,-23.22,;35.72,-24.76,;37.06,-25.53,;38.39,-24.76,;39.73,-25.52,;38.37,-23.21,;37.05,-22.45,;27.71,-14.02,;29.04,-13.24,;29.03,-11.7,;30.35,-10.93,;31.7,-11.7,;33.03,-10.92,;31.7,-13.24,;30.37,-14.02,;21.05,-13.27,;21.05,-11.72,;19.71,-10.98,;19.7,-9.44,;21.04,-8.65,;21.04,-7.11,;22.38,-9.43,;22.38,-10.96,;10.36,-16.89,;9.03,-16.13,;7.71,-16.91,;7.73,-18.45,;9.04,-19.2,;10.37,-18.43,;11.72,-19.19,;13.04,-18.41,;14.37,-19.17,;6.39,-19.21,;6.39,-20.75,;5.04,-21.52,;5.04,-18.45,;3.7,-19.21,)| Show InChI InChI=1S/C124H163F6N21O14/c1-5-144(6-2)97-55-57-101-109(77-97)165-110-78-98(145(7-3)8-4)56-58-102(110)117(101)99-23-9-10-24-100(99)118(158)143-108(30-16-22-70-136)124(164)151(84-90-41-53-96(130)54-42-90)76-64-116(157)142-107(29-15-21-69-135)123(163)150(83-89-39-51-95(129)52-40-89)75-63-115(156)141-106(28-14-20-68-134)122(162)149(82-88-37-49-94(128)50-38-88)74-62-114(155)140-105(27-13-19-67-133)121(161)148(81-87-35-47-93(127)48-36-87)73-61-113(154)139-104(26-12-18-66-132)120(160)147(80-86-33-45-92(126)46-34-86)72-60-112(153)138-103(25-11-17-65-131)119(159)146(71-59-111(137)152)79-85-31-43-91(125)44-32-85/h9-10,23-24,31-58,77-78,103-108H,5-8,11-22,25-30,59-76,79-84,131-136H2,1-4H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50329474
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw... |
J Med Chem 53: 7441-51 (2010)
Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515186
(CHEMBL4462550)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C28H47N5O2/c29-17-9-20-30-18-7-8-19-31-21-10-22-32-28(35)26(23-25-13-5-2-6-14-25)33-27(34)16-15-24-11-3-1-4-12-24/h1,3-4,11-12,15-16,25-26,30-31H,2,5-10,13-14,17-23,29H2,(H,32,35)(H,33,34)/b16-15+/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238899
(CHEMBL4066521)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,(17.07,-33.47,;15.74,-32.7,;15.74,-31.16,;17.07,-30.39,;18.39,-31.16,;14.39,-30.39,;14.38,-28.86,;13.06,-28.1,;11.73,-28.87,;10.39,-28.1,;10.39,-26.04,;9.04,-25.29,;9.04,-23.75,;10.37,-22.97,;11.7,-23.74,;11.7,-25.27,;13.03,-26.04,;13.03,-27.6,;14.39,-25.27,;15.74,-26.04,;15.74,-27.6,;17.07,-28.36,;17.07,-29.9,;18.4,-30.67,;19.73,-29.9,;17.08,-25.27,;17.08,-23.71,;18.42,-26.04,;18.43,-27.58,;19.76,-28.34,;21.09,-27.57,;21.09,-26.03,;22.43,-28.34,;23.75,-27.57,;23.76,-26.02,;25.09,-25.26,;25.08,-23.71,;26.41,-22.94,;26.41,-21.4,;25.09,-28.33,;25.1,-29.86,;26.42,-27.55,;27.75,-28.33,;27.76,-29.86,;29.1,-30.62,;30.43,-29.85,;29.1,-32.16,;30.43,-32.93,;31.76,-32.16,;33.1,-32.92,;34.43,-32.15,;35.76,-32.92,;37.09,-32.14,;30.44,-34.47,;29.11,-35.24,;31.77,-35.23,;31.78,-36.77,;30.44,-37.55,;30.45,-39.08,;31.78,-39.84,;29.12,-39.86,;29.12,-41.4,;30.46,-42.17,;30.46,-43.71,;31.8,-44.48,;33.13,-43.7,;34.47,-44.47,;27.79,-42.17,;26.45,-41.4,;27.79,-43.71,;29.13,-44.48,;29.13,-46.03,;27.8,-46.8,;27.8,-48.34,;26.46,-46.03,;26.46,-44.49,;25.12,-43.72,;25.12,-42.18,;23.79,-41.41,;22.45,-42.18,;22.46,-43.74,;23.8,-44.5,;33.1,-34.46,;34.43,-35.23,;34.43,-36.76,;35.77,-37.53,;37.1,-36.76,;37.09,-35.21,;35.76,-34.45,;26.42,-26.02,;27.75,-25.25,;29.08,-26.01,;30.41,-25.24,;30.41,-23.7,;29.06,-22.94,;27.74,-23.71,;19.76,-25.27,;19.75,-23.73,;21.09,-22.97,;21.08,-21.42,;19.74,-20.66,;18.41,-21.44,;18.42,-22.97,;9.06,-28.89,;7.73,-28.13,;6.41,-28.91,;6.43,-30.45,;7.75,-31.21,;9.07,-30.43,;10.42,-31.19,;11.74,-30.41,;13.08,-31.18,;5.08,-31.22,;3.74,-30.45,;2.41,-31.22,;5.08,-32.75,;3.74,-33.52,)| Show InChI InChI=1S/C92H123N15O10/c1-5-102(6-2)71-45-47-75-81(61-71)117-82-62-72(103(7-3)8-4)46-48-76(82)87(75)73-39-21-22-40-74(73)88(112)101-80(44-26-30-56-96)92(116)107(66-70-37-19-12-20-38-70)60-52-86(111)100-79(43-25-29-55-95)91(115)106(65-69-35-17-11-18-36-69)59-51-85(110)99-78(42-24-28-54-94)90(114)105(64-68-33-15-10-16-34-68)58-50-84(109)98-77(41-23-27-53-93)89(113)104(57-49-83(97)108)63-67-31-13-9-14-32-67/h9-22,31-40,45-48,61-62,77-80H,5-8,23-30,41-44,49-60,63-66,93-96H2,1-4H3,(H5-,97,98,99,100,101,108,109,110,111,112)/p+1/t77-,78-,79-,80-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238899
(CHEMBL4066521)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,(17.07,-33.47,;15.74,-32.7,;15.74,-31.16,;17.07,-30.39,;18.39,-31.16,;14.39,-30.39,;14.38,-28.86,;13.06,-28.1,;11.73,-28.87,;10.39,-28.1,;10.39,-26.04,;9.04,-25.29,;9.04,-23.75,;10.37,-22.97,;11.7,-23.74,;11.7,-25.27,;13.03,-26.04,;13.03,-27.6,;14.39,-25.27,;15.74,-26.04,;15.74,-27.6,;17.07,-28.36,;17.07,-29.9,;18.4,-30.67,;19.73,-29.9,;17.08,-25.27,;17.08,-23.71,;18.42,-26.04,;18.43,-27.58,;19.76,-28.34,;21.09,-27.57,;21.09,-26.03,;22.43,-28.34,;23.75,-27.57,;23.76,-26.02,;25.09,-25.26,;25.08,-23.71,;26.41,-22.94,;26.41,-21.4,;25.09,-28.33,;25.1,-29.86,;26.42,-27.55,;27.75,-28.33,;27.76,-29.86,;29.1,-30.62,;30.43,-29.85,;29.1,-32.16,;30.43,-32.93,;31.76,-32.16,;33.1,-32.92,;34.43,-32.15,;35.76,-32.92,;37.09,-32.14,;30.44,-34.47,;29.11,-35.24,;31.77,-35.23,;31.78,-36.77,;30.44,-37.55,;30.45,-39.08,;31.78,-39.84,;29.12,-39.86,;29.12,-41.4,;30.46,-42.17,;30.46,-43.71,;31.8,-44.48,;33.13,-43.7,;34.47,-44.47,;27.79,-42.17,;26.45,-41.4,;27.79,-43.71,;29.13,-44.48,;29.13,-46.03,;27.8,-46.8,;27.8,-48.34,;26.46,-46.03,;26.46,-44.49,;25.12,-43.72,;25.12,-42.18,;23.79,-41.41,;22.45,-42.18,;22.46,-43.74,;23.8,-44.5,;33.1,-34.46,;34.43,-35.23,;34.43,-36.76,;35.77,-37.53,;37.1,-36.76,;37.09,-35.21,;35.76,-34.45,;26.42,-26.02,;27.75,-25.25,;29.08,-26.01,;30.41,-25.24,;30.41,-23.7,;29.06,-22.94,;27.74,-23.71,;19.76,-25.27,;19.75,-23.73,;21.09,-22.97,;21.08,-21.42,;19.74,-20.66,;18.41,-21.44,;18.42,-22.97,;9.06,-28.89,;7.73,-28.13,;6.41,-28.91,;6.43,-30.45,;7.75,-31.21,;9.07,-30.43,;10.42,-31.19,;11.74,-30.41,;13.08,-31.18,;5.08,-31.22,;3.74,-30.45,;2.41,-31.22,;5.08,-32.75,;3.74,-33.52,)| Show InChI InChI=1S/C92H123N15O10/c1-5-102(6-2)71-45-47-75-81(61-71)117-82-62-72(103(7-3)8-4)46-48-76(82)87(75)73-39-21-22-40-74(73)88(112)101-80(44-26-30-56-96)92(116)107(66-70-37-19-12-20-38-70)60-52-86(111)100-79(43-25-29-55-95)91(115)106(65-69-35-17-11-18-36-69)59-51-85(110)99-78(42-24-28-54-94)90(114)105(64-68-33-15-10-16-34-68)58-50-84(109)98-77(41-23-27-53-93)89(113)104(57-49-83(97)108)63-67-31-13-9-14-32-67/h9-22,31-40,45-48,61-62,77-80H,5-8,23-30,41-44,49-60,63-66,93-96H2,1-4H3,(H5-,97,98,99,100,101,108,109,110,111,112)/p+1/t77-,78-,79-,80-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238899
(CHEMBL4066521)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,(17.07,-33.47,;15.74,-32.7,;15.74,-31.16,;17.07,-30.39,;18.39,-31.16,;14.39,-30.39,;14.38,-28.86,;13.06,-28.1,;11.73,-28.87,;10.39,-28.1,;10.39,-26.04,;9.04,-25.29,;9.04,-23.75,;10.37,-22.97,;11.7,-23.74,;11.7,-25.27,;13.03,-26.04,;13.03,-27.6,;14.39,-25.27,;15.74,-26.04,;15.74,-27.6,;17.07,-28.36,;17.07,-29.9,;18.4,-30.67,;19.73,-29.9,;17.08,-25.27,;17.08,-23.71,;18.42,-26.04,;18.43,-27.58,;19.76,-28.34,;21.09,-27.57,;21.09,-26.03,;22.43,-28.34,;23.75,-27.57,;23.76,-26.02,;25.09,-25.26,;25.08,-23.71,;26.41,-22.94,;26.41,-21.4,;25.09,-28.33,;25.1,-29.86,;26.42,-27.55,;27.75,-28.33,;27.76,-29.86,;29.1,-30.62,;30.43,-29.85,;29.1,-32.16,;30.43,-32.93,;31.76,-32.16,;33.1,-32.92,;34.43,-32.15,;35.76,-32.92,;37.09,-32.14,;30.44,-34.47,;29.11,-35.24,;31.77,-35.23,;31.78,-36.77,;30.44,-37.55,;30.45,-39.08,;31.78,-39.84,;29.12,-39.86,;29.12,-41.4,;30.46,-42.17,;30.46,-43.71,;31.8,-44.48,;33.13,-43.7,;34.47,-44.47,;27.79,-42.17,;26.45,-41.4,;27.79,-43.71,;29.13,-44.48,;29.13,-46.03,;27.8,-46.8,;27.8,-48.34,;26.46,-46.03,;26.46,-44.49,;25.12,-43.72,;25.12,-42.18,;23.79,-41.41,;22.45,-42.18,;22.46,-43.74,;23.8,-44.5,;33.1,-34.46,;34.43,-35.23,;34.43,-36.76,;35.77,-37.53,;37.1,-36.76,;37.09,-35.21,;35.76,-34.45,;26.42,-26.02,;27.75,-25.25,;29.08,-26.01,;30.41,-25.24,;30.41,-23.7,;29.06,-22.94,;27.74,-23.71,;19.76,-25.27,;19.75,-23.73,;21.09,-22.97,;21.08,-21.42,;19.74,-20.66,;18.41,-21.44,;18.42,-22.97,;9.06,-28.89,;7.73,-28.13,;6.41,-28.91,;6.43,-30.45,;7.75,-31.21,;9.07,-30.43,;10.42,-31.19,;11.74,-30.41,;13.08,-31.18,;5.08,-31.22,;3.74,-30.45,;2.41,-31.22,;5.08,-32.75,;3.74,-33.52,)| Show InChI InChI=1S/C92H123N15O10/c1-5-102(6-2)71-45-47-75-81(61-71)117-82-62-72(103(7-3)8-4)46-48-76(82)87(75)73-39-21-22-40-74(73)88(112)101-80(44-26-30-56-96)92(116)107(66-70-37-19-12-20-38-70)60-52-86(111)100-79(43-25-29-55-95)91(115)106(65-69-35-17-11-18-36-69)59-51-85(110)99-78(42-24-28-54-94)90(114)105(64-68-33-15-10-16-34-68)58-50-84(109)98-77(41-23-27-53-93)89(113)104(57-49-83(97)108)63-67-31-13-9-14-32-67/h9-22,31-40,45-48,61-62,77-80H,5-8,23-30,41-44,49-60,63-66,93-96H2,1-4H3,(H5-,97,98,99,100,101,108,109,110,111,112)/p+1/t77-,78-,79-,80-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238906
(CHEMBL4081147)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,(17.08,-26.39,;15.75,-25.63,;15.75,-24.08,;17.08,-23.32,;18.4,-24.08,;14.4,-23.32,;14.39,-21.79,;13.07,-21.03,;11.74,-21.8,;10.41,-21.03,;10.4,-18.98,;9.05,-18.22,;9.05,-16.68,;10.39,-15.91,;11.71,-16.67,;11.71,-18.2,;13.04,-18.97,;13.04,-20.53,;14.4,-18.2,;15.75,-18.97,;15.75,-20.53,;17.07,-21.29,;17.07,-22.83,;18.41,-23.6,;19.73,-22.83,;17.09,-18.2,;17.09,-16.65,;18.43,-18.97,;18.44,-20.51,;19.76,-21.27,;21.09,-20.5,;21.1,-18.96,;22.43,-21.27,;23.75,-20.5,;23.76,-18.95,;25.09,-18.19,;25.08,-16.65,;26.41,-15.87,;26.41,-14.34,;25.09,-21.26,;25.1,-22.79,;26.42,-20.49,;27.75,-21.26,;27.76,-22.79,;29.09,-23.55,;30.42,-22.78,;29.09,-25.09,;30.43,-25.86,;31.76,-25.08,;33.09,-25.85,;34.42,-25.07,;35.75,-25.84,;37.08,-25.07,;30.43,-27.39,;29.1,-28.16,;31.76,-28.15,;31.77,-29.69,;30.44,-30.47,;30.44,-32,;31.77,-32.76,;29.11,-32.77,;29.12,-34.32,;30.45,-35.08,;30.46,-36.62,;31.79,-37.39,;33.13,-36.62,;34.46,-37.38,;27.78,-35.09,;26.45,-34.32,;27.79,-36.63,;29.12,-37.4,;29.13,-38.94,;27.8,-39.71,;26.46,-38.94,;27.8,-41.25,;26.47,-42.03,;25.13,-41.26,;23.8,-42.03,;22.46,-41.27,;21.13,-42.04,;19.79,-41.27,;26.47,-43.57,;27.81,-44.33,;25.14,-44.34,;25.14,-45.88,;23.81,-46.66,;23.81,-48.2,;25.15,-48.96,;22.48,-48.97,;22.48,-50.51,;23.82,-51.28,;23.82,-52.82,;25.16,-53.59,;26.49,-52.81,;27.83,-53.58,;21.15,-51.29,;19.81,-50.52,;21.15,-52.83,;22.49,-53.59,;22.49,-55.13,;23.83,-55.9,;23.83,-57.44,;25.16,-55.13,;19.82,-53.6,;18.48,-52.83,;18.49,-51.29,;17.15,-50.52,;15.82,-51.3,;15.82,-52.85,;17.16,-53.61,;23.8,-43.57,;22.47,-44.35,;21.13,-43.58,;19.8,-44.35,;19.8,-45.89,;21.15,-46.66,;22.47,-45.88,;26.46,-37.4,;25.12,-36.64,;25.12,-35.09,;23.79,-34.33,;22.45,-35.1,;22.46,-36.65,;23.8,-37.41,;33.09,-27.39,;34.42,-28.15,;34.42,-29.68,;35.76,-30.45,;37.09,-29.68,;37.08,-28.13,;35.75,-27.37,;26.42,-18.95,;27.75,-18.18,;29.08,-18.94,;30.4,-18.17,;30.4,-16.64,;29.06,-15.88,;27.74,-16.65,;19.76,-18.2,;19.75,-16.66,;21.09,-15.9,;21.09,-14.36,;19.75,-13.6,;18.42,-14.38,;18.43,-15.91,;9.07,-21.82,;7.75,-21.06,;6.43,-21.84,;6.45,-23.37,;7.76,-24.13,;9.09,-23.36,;10.43,-24.12,;11.75,-23.34,;13.09,-24.1,;5.1,-24.14,;3.76,-23.37,;2.43,-24.14,;5.1,-25.68,;3.76,-26.45,)| Show InChI InChI=1S/C124H169N21O14/c1-5-138(6-2)97-61-63-101-109(83-97)159-110-84-98(139(7-3)8-4)62-64-102(110)117(101)99-53-27-28-54-100(99)118(152)137-108(60-34-40-76-130)124(158)145(90-96-51-25-14-26-52-96)82-70-116(151)136-107(59-33-39-75-129)123(157)144(89-95-49-23-13-24-50-95)81-69-115(150)135-106(58-32-38-74-128)122(156)143(88-94-47-21-12-22-48-94)80-68-114(149)134-105(57-31-37-73-127)121(155)142(87-93-45-19-11-20-46-93)79-67-113(148)133-104(56-30-36-72-126)120(154)141(86-92-43-17-10-18-44-92)78-66-112(147)132-103(55-29-35-71-125)119(153)140(77-65-111(131)146)85-91-41-15-9-16-42-91/h9-28,41-54,61-64,83-84,103-108H,5-8,29-40,55-60,65-82,85-90,125-130H2,1-4H3,(H7-,131,132,133,134,135,136,137,146,147,148,149,150,151,152)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238906
(CHEMBL4081147)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,(17.08,-26.39,;15.75,-25.63,;15.75,-24.08,;17.08,-23.32,;18.4,-24.08,;14.4,-23.32,;14.39,-21.79,;13.07,-21.03,;11.74,-21.8,;10.41,-21.03,;10.4,-18.98,;9.05,-18.22,;9.05,-16.68,;10.39,-15.91,;11.71,-16.67,;11.71,-18.2,;13.04,-18.97,;13.04,-20.53,;14.4,-18.2,;15.75,-18.97,;15.75,-20.53,;17.07,-21.29,;17.07,-22.83,;18.41,-23.6,;19.73,-22.83,;17.09,-18.2,;17.09,-16.65,;18.43,-18.97,;18.44,-20.51,;19.76,-21.27,;21.09,-20.5,;21.1,-18.96,;22.43,-21.27,;23.75,-20.5,;23.76,-18.95,;25.09,-18.19,;25.08,-16.65,;26.41,-15.87,;26.41,-14.34,;25.09,-21.26,;25.1,-22.79,;26.42,-20.49,;27.75,-21.26,;27.76,-22.79,;29.09,-23.55,;30.42,-22.78,;29.09,-25.09,;30.43,-25.86,;31.76,-25.08,;33.09,-25.85,;34.42,-25.07,;35.75,-25.84,;37.08,-25.07,;30.43,-27.39,;29.1,-28.16,;31.76,-28.15,;31.77,-29.69,;30.44,-30.47,;30.44,-32,;31.77,-32.76,;29.11,-32.77,;29.12,-34.32,;30.45,-35.08,;30.46,-36.62,;31.79,-37.39,;33.13,-36.62,;34.46,-37.38,;27.78,-35.09,;26.45,-34.32,;27.79,-36.63,;29.12,-37.4,;29.13,-38.94,;27.8,-39.71,;26.46,-38.94,;27.8,-41.25,;26.47,-42.03,;25.13,-41.26,;23.8,-42.03,;22.46,-41.27,;21.13,-42.04,;19.79,-41.27,;26.47,-43.57,;27.81,-44.33,;25.14,-44.34,;25.14,-45.88,;23.81,-46.66,;23.81,-48.2,;25.15,-48.96,;22.48,-48.97,;22.48,-50.51,;23.82,-51.28,;23.82,-52.82,;25.16,-53.59,;26.49,-52.81,;27.83,-53.58,;21.15,-51.29,;19.81,-50.52,;21.15,-52.83,;22.49,-53.59,;22.49,-55.13,;23.83,-55.9,;23.83,-57.44,;25.16,-55.13,;19.82,-53.6,;18.48,-52.83,;18.49,-51.29,;17.15,-50.52,;15.82,-51.3,;15.82,-52.85,;17.16,-53.61,;23.8,-43.57,;22.47,-44.35,;21.13,-43.58,;19.8,-44.35,;19.8,-45.89,;21.15,-46.66,;22.47,-45.88,;26.46,-37.4,;25.12,-36.64,;25.12,-35.09,;23.79,-34.33,;22.45,-35.1,;22.46,-36.65,;23.8,-37.41,;33.09,-27.39,;34.42,-28.15,;34.42,-29.68,;35.76,-30.45,;37.09,-29.68,;37.08,-28.13,;35.75,-27.37,;26.42,-18.95,;27.75,-18.18,;29.08,-18.94,;30.4,-18.17,;30.4,-16.64,;29.06,-15.88,;27.74,-16.65,;19.76,-18.2,;19.75,-16.66,;21.09,-15.9,;21.09,-14.36,;19.75,-13.6,;18.42,-14.38,;18.43,-15.91,;9.07,-21.82,;7.75,-21.06,;6.43,-21.84,;6.45,-23.37,;7.76,-24.13,;9.09,-23.36,;10.43,-24.12,;11.75,-23.34,;13.09,-24.1,;5.1,-24.14,;3.76,-23.37,;2.43,-24.14,;5.1,-25.68,;3.76,-26.45,)| Show InChI InChI=1S/C124H169N21O14/c1-5-138(6-2)97-61-63-101-109(83-97)159-110-84-98(139(7-3)8-4)62-64-102(110)117(101)99-53-27-28-54-100(99)118(152)137-108(60-34-40-76-130)124(158)145(90-96-51-25-14-26-52-96)82-70-116(151)136-107(59-33-39-75-129)123(157)144(89-95-49-23-13-24-50-95)81-69-115(150)135-106(58-32-38-74-128)122(156)143(88-94-47-21-12-22-48-94)80-68-114(149)134-105(57-31-37-73-127)121(155)142(87-93-45-19-11-20-46-93)79-67-113(148)133-104(56-30-36-72-126)120(154)141(86-92-43-17-10-18-44-92)78-66-112(147)132-103(55-29-35-71-125)119(153)140(77-65-111(131)146)85-91-41-15-9-16-42-91/h9-28,41-54,61-64,83-84,103-108H,5-8,29-40,55-60,65-82,85-90,125-130H2,1-4H3,(H7-,131,132,133,134,135,136,137,146,147,148,149,150,151,152)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238906
(CHEMBL4081147)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,(17.08,-26.39,;15.75,-25.63,;15.75,-24.08,;17.08,-23.32,;18.4,-24.08,;14.4,-23.32,;14.39,-21.79,;13.07,-21.03,;11.74,-21.8,;10.41,-21.03,;10.4,-18.98,;9.05,-18.22,;9.05,-16.68,;10.39,-15.91,;11.71,-16.67,;11.71,-18.2,;13.04,-18.97,;13.04,-20.53,;14.4,-18.2,;15.75,-18.97,;15.75,-20.53,;17.07,-21.29,;17.07,-22.83,;18.41,-23.6,;19.73,-22.83,;17.09,-18.2,;17.09,-16.65,;18.43,-18.97,;18.44,-20.51,;19.76,-21.27,;21.09,-20.5,;21.1,-18.96,;22.43,-21.27,;23.75,-20.5,;23.76,-18.95,;25.09,-18.19,;25.08,-16.65,;26.41,-15.87,;26.41,-14.34,;25.09,-21.26,;25.1,-22.79,;26.42,-20.49,;27.75,-21.26,;27.76,-22.79,;29.09,-23.55,;30.42,-22.78,;29.09,-25.09,;30.43,-25.86,;31.76,-25.08,;33.09,-25.85,;34.42,-25.07,;35.75,-25.84,;37.08,-25.07,;30.43,-27.39,;29.1,-28.16,;31.76,-28.15,;31.77,-29.69,;30.44,-30.47,;30.44,-32,;31.77,-32.76,;29.11,-32.77,;29.12,-34.32,;30.45,-35.08,;30.46,-36.62,;31.79,-37.39,;33.13,-36.62,;34.46,-37.38,;27.78,-35.09,;26.45,-34.32,;27.79,-36.63,;29.12,-37.4,;29.13,-38.94,;27.8,-39.71,;26.46,-38.94,;27.8,-41.25,;26.47,-42.03,;25.13,-41.26,;23.8,-42.03,;22.46,-41.27,;21.13,-42.04,;19.79,-41.27,;26.47,-43.57,;27.81,-44.33,;25.14,-44.34,;25.14,-45.88,;23.81,-46.66,;23.81,-48.2,;25.15,-48.96,;22.48,-48.97,;22.48,-50.51,;23.82,-51.28,;23.82,-52.82,;25.16,-53.59,;26.49,-52.81,;27.83,-53.58,;21.15,-51.29,;19.81,-50.52,;21.15,-52.83,;22.49,-53.59,;22.49,-55.13,;23.83,-55.9,;23.83,-57.44,;25.16,-55.13,;19.82,-53.6,;18.48,-52.83,;18.49,-51.29,;17.15,-50.52,;15.82,-51.3,;15.82,-52.85,;17.16,-53.61,;23.8,-43.57,;22.47,-44.35,;21.13,-43.58,;19.8,-44.35,;19.8,-45.89,;21.15,-46.66,;22.47,-45.88,;26.46,-37.4,;25.12,-36.64,;25.12,-35.09,;23.79,-34.33,;22.45,-35.1,;22.46,-36.65,;23.8,-37.41,;33.09,-27.39,;34.42,-28.15,;34.42,-29.68,;35.76,-30.45,;37.09,-29.68,;37.08,-28.13,;35.75,-27.37,;26.42,-18.95,;27.75,-18.18,;29.08,-18.94,;30.4,-18.17,;30.4,-16.64,;29.06,-15.88,;27.74,-16.65,;19.76,-18.2,;19.75,-16.66,;21.09,-15.9,;21.09,-14.36,;19.75,-13.6,;18.42,-14.38,;18.43,-15.91,;9.07,-21.82,;7.75,-21.06,;6.43,-21.84,;6.45,-23.37,;7.76,-24.13,;9.09,-23.36,;10.43,-24.12,;11.75,-23.34,;13.09,-24.1,;5.1,-24.14,;3.76,-23.37,;2.43,-24.14,;5.1,-25.68,;3.76,-26.45,)| Show InChI InChI=1S/C124H169N21O14/c1-5-138(6-2)97-61-63-101-109(83-97)159-110-84-98(139(7-3)8-4)62-64-102(110)117(101)99-53-27-28-54-100(99)118(152)137-108(60-34-40-76-130)124(158)145(90-96-51-25-14-26-52-96)82-70-116(151)136-107(59-33-39-75-129)123(157)144(89-95-49-23-13-24-50-95)81-69-115(150)135-106(58-32-38-74-128)122(156)143(88-94-47-21-12-22-48-94)80-68-114(149)134-105(57-31-37-73-127)121(155)142(87-93-45-19-11-20-46-93)79-67-113(148)133-104(56-30-36-72-126)120(154)141(86-92-43-17-10-18-44-92)78-66-112(147)132-103(55-29-35-71-125)119(153)140(77-65-111(131)146)85-91-41-15-9-16-42-91/h9-28,41-54,61-64,83-84,103-108H,5-8,29-40,55-60,65-82,85-90,125-130H2,1-4H3,(H7-,131,132,133,134,135,136,137,146,147,148,149,150,151,152)/p+1/t103-,104-,105-,106-,107-,108-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50329477
((S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238900
(CHEMBL4090485)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)| Show InChI InChI=1S/C108H146N18O12/c1-5-120(6-2)84-53-55-88-95(72-84)138-96-73-85(121(7-3)8-4)54-56-89(96)102(88)86-46-24-25-47-87(86)103(132)119-94(52-30-35-66-113)108(137)126(78-83-44-22-13-23-45-83)71-61-101(131)118-93(51-29-34-65-112)107(136)125(77-82-42-20-12-21-43-82)70-60-100(130)117-92(50-28-33-64-111)106(135)124(76-81-40-18-11-19-41-81)69-59-99(129)116-91(49-27-32-63-110)105(134)123(75-80-38-16-10-17-39-80)68-58-98(128)115-90(48-26-31-62-109)104(133)122(67-57-97(114)127)74-79-36-14-9-15-37-79/h9-25,36-47,53-56,72-73,90-94H,5-8,26-35,48-52,57-71,74-78,109-113H2,1-4H3,(H6-,114,115,116,117,118,119,127,128,129,130,131,132)/p+1/t90-,91-,92-,93-,94-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238900
(CHEMBL4090485)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)| Show InChI InChI=1S/C108H146N18O12/c1-5-120(6-2)84-53-55-88-95(72-84)138-96-73-85(121(7-3)8-4)54-56-89(96)102(88)86-46-24-25-47-87(86)103(132)119-94(52-30-35-66-113)108(137)126(78-83-44-22-13-23-45-83)71-61-101(131)118-93(51-29-34-65-112)107(136)125(77-82-42-20-12-21-43-82)70-60-100(130)117-92(50-28-33-64-111)106(135)124(76-81-40-18-11-19-41-81)69-59-99(129)116-91(49-27-32-63-110)105(134)123(75-80-38-16-10-17-39-80)68-58-98(128)115-90(48-26-31-62-109)104(133)122(67-57-97(114)127)74-79-36-14-9-15-37-79/h9-25,36-47,53-56,72-73,90-94H,5-8,26-35,48-52,57-71,74-78,109-113H2,1-4H3,(H6-,114,115,116,117,118,119,127,128,129,130,131,132)/p+1/t90-,91-,92-,93-,94-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238900
(CHEMBL4090485)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)| Show InChI InChI=1S/C108H146N18O12/c1-5-120(6-2)84-53-55-88-95(72-84)138-96-73-85(121(7-3)8-4)54-56-89(96)102(88)86-46-24-25-47-87(86)103(132)119-94(52-30-35-66-113)108(137)126(78-83-44-22-13-23-45-83)71-61-101(131)118-93(51-29-34-65-112)107(136)125(77-82-42-20-12-21-43-82)70-60-100(130)117-92(50-28-33-64-111)106(135)124(76-81-40-18-11-19-41-81)69-59-99(129)116-91(49-27-32-63-110)105(134)123(75-80-38-16-10-17-39-80)68-58-98(128)115-90(48-26-31-62-109)104(133)122(67-57-97(114)127)74-79-36-14-9-15-37-79/h9-25,36-47,53-56,72-73,90-94H,5-8,26-35,48-52,57-71,74-78,109-113H2,1-4H3,(H6-,114,115,116,117,118,119,127,128,129,130,131,132)/p+1/t90-,91-,92-,93-,94-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515196
(CHEMBL4454232)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H45N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h2,5-6,13-14,22,24,28-29H,1,3-4,7-12,15-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515191
(CHEMBL371789)Show SMILES CCCC(=O)N[C@@H](CCc1ccccc1)C(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C24H43N5O2/c1-2-10-23(30)29-22(14-13-21-11-4-3-5-12-21)24(31)28-20-9-19-27-17-7-6-16-26-18-8-15-25/h3-5,11-12,22,26-27H,2,6-10,13-20,25H2,1H3,(H,28,31)(H,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50329475
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw... |
J Med Chem 53: 7441-51 (2010)
Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515194
(CHEMBL4559471)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCC1 |r| Show InChI InChI=1S/C24H47N5O2/c25-13-7-16-26-14-4-5-15-27-17-8-18-28-24(31)22(19-20-9-2-1-3-10-20)29-23(30)21-11-6-12-21/h20-22,26-27H,1-19,25H2,(H,28,31)(H,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 1
(Homo sapiens (Human)) | BDBM50094298
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw... |
J Med Chem 53: 7441-51 (2010)
Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515185
(CHEMBL4585225)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCC1 |r| Show InChI InChI=1S/C25H43N5O3/c26-13-5-16-27-14-3-4-15-28-17-6-18-29-25(33)23(19-20-9-11-22(31)12-10-20)30-24(32)21-7-1-2-8-21/h9-12,21,23,27-28,31H,1-8,13-19,26H2,(H,29,33)(H,30,32)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238909
(CHEMBL4062611)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(18.68,-25.46,;17.36,-24.7,;16.03,-25.47,;16.03,-27.01,;17.36,-27.78,;14.68,-24.7,;14.68,-23.17,;13.35,-22.41,;12.02,-23.18,;10.69,-22.41,;10.68,-20.36,;9.34,-19.6,;9.34,-18.06,;10.67,-17.27,;11.99,-18.05,;11.99,-19.58,;13.32,-20.36,;13.32,-21.91,;14.68,-19.58,;16.03,-20.36,;16.03,-21.91,;17.35,-22.68,;17.35,-24.21,;18.69,-24.98,;20.02,-24.21,;17.37,-19.58,;17.37,-18.01,;18.71,-20.36,;18.72,-21.89,;20.05,-22.65,;21.38,-21.88,;21.38,-20.34,;22.71,-22.65,;24.04,-21.88,;24.04,-20.33,;25.37,-19.55,;25.37,-18.01,;26.7,-17.24,;26.69,-15.71,;25.38,-22.64,;25.38,-24.17,;26.71,-21.87,;28.04,-22.64,;28.04,-24.17,;29.38,-24.93,;30.71,-24.16,;29.38,-26.47,;30.72,-27.24,;32.05,-26.47,;33.37,-27.23,;34.71,-26.46,;36.05,-27.23,;37.37,-26.45,;30.72,-28.77,;29.39,-29.55,;32.05,-29.54,;32.06,-31.08,;30.73,-31.85,;30.73,-33.39,;32.06,-34.15,;29.4,-34.16,;29.41,-35.7,;30.74,-36.47,;30.75,-38.01,;32.08,-38.78,;33.41,-38.01,;34.76,-38.77,;28.07,-36.48,;26.73,-35.71,;28.07,-38.02,;29.42,-38.79,;29.42,-40.33,;28.08,-41.1,;26.75,-40.33,;28.08,-42.64,;26.75,-43.42,;25.42,-42.65,;24.08,-43.42,;22.74,-42.66,;21.41,-43.43,;20.08,-42.66,;26.76,-44.96,;28.09,-45.73,;25.43,-45.73,;25.43,-47.27,;24.09,-48.05,;24.09,-49.59,;25.44,-50.36,;22.76,-50.36,;22.77,-51.91,;24.1,-52.67,;24.1,-54.22,;25.45,-54.98,;26.78,-54.21,;28.11,-54.98,;21.44,-52.68,;20.1,-51.91,;21.44,-54.22,;22.77,-54.99,;22.78,-56.53,;24.11,-57.3,;24.12,-58.84,;25.45,-56.52,;20.11,-55,;18.76,-54.23,;18.77,-52.69,;17.43,-51.92,;16.1,-52.69,;14.76,-51.93,;16.11,-54.24,;17.44,-55,;24.08,-44.97,;22.75,-45.74,;21.42,-44.97,;20.09,-45.74,;20.09,-47.28,;18.76,-48.06,;21.43,-48.05,;22.76,-47.27,;26.74,-38.79,;25.41,-38.02,;25.41,-36.48,;24.07,-35.71,;22.74,-36.49,;21.4,-35.72,;22.75,-38.04,;24.08,-38.8,;33.38,-28.77,;34.71,-29.53,;34.72,-31.07,;36.05,-31.84,;37.38,-31.07,;38.72,-31.83,;37.37,-29.52,;36.04,-28.76,;26.7,-20.33,;28.03,-19.55,;28.02,-18.01,;29.35,-17.24,;30.69,-18.01,;32.02,-17.23,;30.69,-19.55,;29.37,-20.33,;20.05,-19.58,;20.04,-18.03,;18.71,-17.29,;18.7,-15.75,;20.04,-14.96,;20.03,-13.42,;21.37,-15.74,;21.38,-17.27,;9.36,-23.2,;8.03,-22.44,;6.71,-23.22,;6.73,-24.76,;8.04,-25.51,;9.36,-24.74,;10.71,-25.5,;12.03,-24.72,;13.37,-25.48,;5.38,-25.52,;5.38,-27.06,;4.04,-27.83,;4.04,-24.76,;2.7,-25.52,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-61-63-107-115(83-103)165-116-84-104(145(13-3)14-4)62-64-108(116)123(107)105-29-15-16-30-106(105)124(158)143-114(36-22-28-76-136)130(164)151(90-102-59-47-96(10)48-60-102)82-70-122(157)142-113(35-21-27-75-135)129(163)150(89-101-57-45-95(9)46-58-101)81-69-121(156)141-112(34-20-26-74-134)128(162)149(88-100-55-43-94(8)44-56-100)80-68-120(155)140-111(33-19-25-73-133)127(161)148(87-99-53-41-93(7)42-54-99)79-67-119(154)139-110(32-18-24-72-132)126(160)147(86-98-51-39-92(6)40-52-98)78-66-118(153)138-109(31-17-23-71-131)125(159)146(77-65-117(137)152)85-97-49-37-91(5)38-50-97/h15-16,29-30,37-64,83-84,109-114H,11-14,17-28,31-36,65-82,85-90,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238909
(CHEMBL4062611)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(18.68,-25.46,;17.36,-24.7,;16.03,-25.47,;16.03,-27.01,;17.36,-27.78,;14.68,-24.7,;14.68,-23.17,;13.35,-22.41,;12.02,-23.18,;10.69,-22.41,;10.68,-20.36,;9.34,-19.6,;9.34,-18.06,;10.67,-17.27,;11.99,-18.05,;11.99,-19.58,;13.32,-20.36,;13.32,-21.91,;14.68,-19.58,;16.03,-20.36,;16.03,-21.91,;17.35,-22.68,;17.35,-24.21,;18.69,-24.98,;20.02,-24.21,;17.37,-19.58,;17.37,-18.01,;18.71,-20.36,;18.72,-21.89,;20.05,-22.65,;21.38,-21.88,;21.38,-20.34,;22.71,-22.65,;24.04,-21.88,;24.04,-20.33,;25.37,-19.55,;25.37,-18.01,;26.7,-17.24,;26.69,-15.71,;25.38,-22.64,;25.38,-24.17,;26.71,-21.87,;28.04,-22.64,;28.04,-24.17,;29.38,-24.93,;30.71,-24.16,;29.38,-26.47,;30.72,-27.24,;32.05,-26.47,;33.37,-27.23,;34.71,-26.46,;36.05,-27.23,;37.37,-26.45,;30.72,-28.77,;29.39,-29.55,;32.05,-29.54,;32.06,-31.08,;30.73,-31.85,;30.73,-33.39,;32.06,-34.15,;29.4,-34.16,;29.41,-35.7,;30.74,-36.47,;30.75,-38.01,;32.08,-38.78,;33.41,-38.01,;34.76,-38.77,;28.07,-36.48,;26.73,-35.71,;28.07,-38.02,;29.42,-38.79,;29.42,-40.33,;28.08,-41.1,;26.75,-40.33,;28.08,-42.64,;26.75,-43.42,;25.42,-42.65,;24.08,-43.42,;22.74,-42.66,;21.41,-43.43,;20.08,-42.66,;26.76,-44.96,;28.09,-45.73,;25.43,-45.73,;25.43,-47.27,;24.09,-48.05,;24.09,-49.59,;25.44,-50.36,;22.76,-50.36,;22.77,-51.91,;24.1,-52.67,;24.1,-54.22,;25.45,-54.98,;26.78,-54.21,;28.11,-54.98,;21.44,-52.68,;20.1,-51.91,;21.44,-54.22,;22.77,-54.99,;22.78,-56.53,;24.11,-57.3,;24.12,-58.84,;25.45,-56.52,;20.11,-55,;18.76,-54.23,;18.77,-52.69,;17.43,-51.92,;16.1,-52.69,;14.76,-51.93,;16.11,-54.24,;17.44,-55,;24.08,-44.97,;22.75,-45.74,;21.42,-44.97,;20.09,-45.74,;20.09,-47.28,;18.76,-48.06,;21.43,-48.05,;22.76,-47.27,;26.74,-38.79,;25.41,-38.02,;25.41,-36.48,;24.07,-35.71,;22.74,-36.49,;21.4,-35.72,;22.75,-38.04,;24.08,-38.8,;33.38,-28.77,;34.71,-29.53,;34.72,-31.07,;36.05,-31.84,;37.38,-31.07,;38.72,-31.83,;37.37,-29.52,;36.04,-28.76,;26.7,-20.33,;28.03,-19.55,;28.02,-18.01,;29.35,-17.24,;30.69,-18.01,;32.02,-17.23,;30.69,-19.55,;29.37,-20.33,;20.05,-19.58,;20.04,-18.03,;18.71,-17.29,;18.7,-15.75,;20.04,-14.96,;20.03,-13.42,;21.37,-15.74,;21.38,-17.27,;9.36,-23.2,;8.03,-22.44,;6.71,-23.22,;6.73,-24.76,;8.04,-25.51,;9.36,-24.74,;10.71,-25.5,;12.03,-24.72,;13.37,-25.48,;5.38,-25.52,;5.38,-27.06,;4.04,-27.83,;4.04,-24.76,;2.7,-25.52,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-61-63-107-115(83-103)165-116-84-104(145(13-3)14-4)62-64-108(116)123(107)105-29-15-16-30-106(105)124(158)143-114(36-22-28-76-136)130(164)151(90-102-59-47-96(10)48-60-102)82-70-122(157)142-113(35-21-27-75-135)129(163)150(89-101-57-45-95(9)46-58-101)81-69-121(156)141-112(34-20-26-74-134)128(162)149(88-100-55-43-94(8)44-56-100)80-68-120(155)140-111(33-19-25-73-133)127(161)148(87-99-53-41-93(7)42-54-99)79-67-119(154)139-110(32-18-24-72-132)126(160)147(86-98-51-39-92(6)40-52-98)78-66-118(153)138-109(31-17-23-71-131)125(159)146(77-65-117(137)152)85-97-49-37-91(5)38-50-97/h15-16,29-30,37-64,83-84,109-114H,11-14,17-28,31-36,65-82,85-90,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238909
(CHEMBL4062611)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)Cc3ccc(C)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:89.90,47.48,61.62,33.34,wD:75.76,19.20,(18.68,-25.46,;17.36,-24.7,;16.03,-25.47,;16.03,-27.01,;17.36,-27.78,;14.68,-24.7,;14.68,-23.17,;13.35,-22.41,;12.02,-23.18,;10.69,-22.41,;10.68,-20.36,;9.34,-19.6,;9.34,-18.06,;10.67,-17.27,;11.99,-18.05,;11.99,-19.58,;13.32,-20.36,;13.32,-21.91,;14.68,-19.58,;16.03,-20.36,;16.03,-21.91,;17.35,-22.68,;17.35,-24.21,;18.69,-24.98,;20.02,-24.21,;17.37,-19.58,;17.37,-18.01,;18.71,-20.36,;18.72,-21.89,;20.05,-22.65,;21.38,-21.88,;21.38,-20.34,;22.71,-22.65,;24.04,-21.88,;24.04,-20.33,;25.37,-19.55,;25.37,-18.01,;26.7,-17.24,;26.69,-15.71,;25.38,-22.64,;25.38,-24.17,;26.71,-21.87,;28.04,-22.64,;28.04,-24.17,;29.38,-24.93,;30.71,-24.16,;29.38,-26.47,;30.72,-27.24,;32.05,-26.47,;33.37,-27.23,;34.71,-26.46,;36.05,-27.23,;37.37,-26.45,;30.72,-28.77,;29.39,-29.55,;32.05,-29.54,;32.06,-31.08,;30.73,-31.85,;30.73,-33.39,;32.06,-34.15,;29.4,-34.16,;29.41,-35.7,;30.74,-36.47,;30.75,-38.01,;32.08,-38.78,;33.41,-38.01,;34.76,-38.77,;28.07,-36.48,;26.73,-35.71,;28.07,-38.02,;29.42,-38.79,;29.42,-40.33,;28.08,-41.1,;26.75,-40.33,;28.08,-42.64,;26.75,-43.42,;25.42,-42.65,;24.08,-43.42,;22.74,-42.66,;21.41,-43.43,;20.08,-42.66,;26.76,-44.96,;28.09,-45.73,;25.43,-45.73,;25.43,-47.27,;24.09,-48.05,;24.09,-49.59,;25.44,-50.36,;22.76,-50.36,;22.77,-51.91,;24.1,-52.67,;24.1,-54.22,;25.45,-54.98,;26.78,-54.21,;28.11,-54.98,;21.44,-52.68,;20.1,-51.91,;21.44,-54.22,;22.77,-54.99,;22.78,-56.53,;24.11,-57.3,;24.12,-58.84,;25.45,-56.52,;20.11,-55,;18.76,-54.23,;18.77,-52.69,;17.43,-51.92,;16.1,-52.69,;14.76,-51.93,;16.11,-54.24,;17.44,-55,;24.08,-44.97,;22.75,-45.74,;21.42,-44.97,;20.09,-45.74,;20.09,-47.28,;18.76,-48.06,;21.43,-48.05,;22.76,-47.27,;26.74,-38.79,;25.41,-38.02,;25.41,-36.48,;24.07,-35.71,;22.74,-36.49,;21.4,-35.72,;22.75,-38.04,;24.08,-38.8,;33.38,-28.77,;34.71,-29.53,;34.72,-31.07,;36.05,-31.84,;37.38,-31.07,;38.72,-31.83,;37.37,-29.52,;36.04,-28.76,;26.7,-20.33,;28.03,-19.55,;28.02,-18.01,;29.35,-17.24,;30.69,-18.01,;32.02,-17.23,;30.69,-19.55,;29.37,-20.33,;20.05,-19.58,;20.04,-18.03,;18.71,-17.29,;18.7,-15.75,;20.04,-14.96,;20.03,-13.42,;21.37,-15.74,;21.38,-17.27,;9.36,-23.2,;8.03,-22.44,;6.71,-23.22,;6.73,-24.76,;8.04,-25.51,;9.36,-24.74,;10.71,-25.5,;12.03,-24.72,;13.37,-25.48,;5.38,-25.52,;5.38,-27.06,;4.04,-27.83,;4.04,-24.76,;2.7,-25.52,)| Show InChI InChI=1S/C130H181N21O14/c1-11-144(12-2)103-61-63-107-115(83-103)165-116-84-104(145(13-3)14-4)62-64-108(116)123(107)105-29-15-16-30-106(105)124(158)143-114(36-22-28-76-136)130(164)151(90-102-59-47-96(10)48-60-102)82-70-122(157)142-113(35-21-27-75-135)129(163)150(89-101-57-45-95(9)46-58-101)81-69-121(156)141-112(34-20-26-74-134)128(162)149(88-100-55-43-94(8)44-56-100)80-68-120(155)140-111(33-19-25-73-133)127(161)148(87-99-53-41-93(7)42-54-99)79-67-119(154)139-110(32-18-24-72-132)126(160)147(86-98-51-39-92(6)40-52-98)78-66-118(153)138-109(31-17-23-71-131)125(159)146(77-65-117(137)152)85-97-49-37-91(5)38-50-97/h15-16,29-30,37-64,83-84,109-114H,11-14,17-28,31-36,65-82,85-90,131-136H2,1-10H3,(H7-,137,138,139,140,141,142,143,152,153,154,155,156,157,158)/p+1/t109-,110-,111-,112-,113-,114-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515190
(CHEMBL4440025)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC1CC2CCC1C2 |r| Show InChI InChI=1S/C28H53N5O2/c29-12-6-15-30-13-4-5-14-31-16-7-17-32-28(35)26(20-22-8-2-1-3-9-22)33-27(34)21-25-19-23-10-11-24(25)18-23/h22-26,30-31H,1-21,29H2,(H,32,35)(H,33,34)/t23?,24?,25?,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50329476
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)/t30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50515195
(CHEMBL4443845)Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCCC1 |r| Show InChI InChI=1S/C27H53N5O2/c28-16-10-19-29-17-8-9-18-30-20-11-21-31-27(34)25(22-23-12-4-3-5-13-23)32-26(33)24-14-6-1-2-7-15-24/h23-25,29-30H,1-22,28H2,(H,31,34)(H,32,33)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activatio... |
J Med Chem 62: 6214-6222 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00519
BindingDB Entry DOI: 10.7270/Q2F47SGG |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238907
(CHEMBL4082093)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,wD:19.20,(18,-35.97,;16.67,-35.2,;16.67,-33.65,;18,-32.88,;19.33,-33.65,;15.32,-32.88,;15.31,-31.36,;13.98,-30.59,;12.66,-31.37,;11.32,-30.6,;11.31,-28.53,;9.96,-27.77,;9.96,-26.23,;11.29,-25.45,;12.63,-26.22,;12.63,-27.76,;13.96,-28.53,;13.96,-30.08,;15.31,-27.76,;16.67,-28.53,;16.67,-30.08,;18,-30.85,;18,-32.39,;19.33,-33.16,;20.67,-32.39,;18.02,-27.76,;18.02,-26.2,;19.36,-28.53,;19.36,-30.07,;20.7,-30.83,;22.03,-30.06,;22.03,-28.52,;23.37,-30.83,;24.7,-30.05,;24.69,-28.51,;26.02,-27.74,;26.02,-26.2,;27.35,-25.43,;27.35,-23.89,;26.03,-30.82,;26.04,-32.36,;27.36,-30.05,;28.7,-30.81,;28.7,-32.35,;30.04,-33.12,;31.37,-32.35,;30.04,-34.66,;31.38,-35.43,;32.71,-34.65,;34.05,-35.42,;35.38,-34.65,;36.71,-35.41,;38.05,-34.64,;31.38,-36.97,;30.05,-37.74,;32.72,-37.73,;32.72,-39.27,;31.39,-40.05,;31.4,-41.59,;30.06,-42.36,;32.73,-42.35,;34.05,-36.96,;35.39,-37.72,;35.39,-39.26,;36.72,-40.03,;38.06,-39.26,;38.05,-37.71,;36.71,-36.95,;27.36,-28.51,;28.69,-27.73,;30.02,-28.5,;31.35,-27.73,;31.35,-26.19,;30.01,-25.42,;28.68,-26.2,;20.69,-27.75,;20.69,-26.21,;22.02,-25.45,;22.02,-23.91,;20.68,-23.14,;19.35,-23.92,;19.36,-25.46,;9.98,-31.38,;8.65,-30.62,;7.33,-31.4,;7.35,-32.94,;8.67,-33.7,;10,-32.92,;11.34,-33.68,;12.66,-32.91,;14,-33.67,;6,-33.71,;4.66,-32.94,;3.33,-33.71,;6,-35.25,;4.66,-36.02,)| Show InChI InChI=1S/C76H100N12O8/c1-5-84(6-2)58-37-39-62-67(50-58)96-68-51-59(85(7-3)8-4)38-40-63(68)72(62)60-32-18-19-33-61(60)73(92)83-66(36-22-25-46-79)76(95)88(54-57-30-16-11-17-31-57)49-43-71(91)82-65(35-21-24-45-78)75(94)87(53-56-28-14-10-15-29-56)48-42-70(90)81-64(34-20-23-44-77)74(93)86(47-41-69(80)89)52-55-26-12-9-13-27-55/h9-19,26-33,37-40,50-51,64-66H,5-8,20-25,34-36,41-49,52-54,77-79H2,1-4H3,(H4-,80,81,82,83,89,90,91,92)/p+1/t64-,65-,66-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238907
(CHEMBL4082093)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,wD:19.20,(18,-35.97,;16.67,-35.2,;16.67,-33.65,;18,-32.88,;19.33,-33.65,;15.32,-32.88,;15.31,-31.36,;13.98,-30.59,;12.66,-31.37,;11.32,-30.6,;11.31,-28.53,;9.96,-27.77,;9.96,-26.23,;11.29,-25.45,;12.63,-26.22,;12.63,-27.76,;13.96,-28.53,;13.96,-30.08,;15.31,-27.76,;16.67,-28.53,;16.67,-30.08,;18,-30.85,;18,-32.39,;19.33,-33.16,;20.67,-32.39,;18.02,-27.76,;18.02,-26.2,;19.36,-28.53,;19.36,-30.07,;20.7,-30.83,;22.03,-30.06,;22.03,-28.52,;23.37,-30.83,;24.7,-30.05,;24.69,-28.51,;26.02,-27.74,;26.02,-26.2,;27.35,-25.43,;27.35,-23.89,;26.03,-30.82,;26.04,-32.36,;27.36,-30.05,;28.7,-30.81,;28.7,-32.35,;30.04,-33.12,;31.37,-32.35,;30.04,-34.66,;31.38,-35.43,;32.71,-34.65,;34.05,-35.42,;35.38,-34.65,;36.71,-35.41,;38.05,-34.64,;31.38,-36.97,;30.05,-37.74,;32.72,-37.73,;32.72,-39.27,;31.39,-40.05,;31.4,-41.59,;30.06,-42.36,;32.73,-42.35,;34.05,-36.96,;35.39,-37.72,;35.39,-39.26,;36.72,-40.03,;38.06,-39.26,;38.05,-37.71,;36.71,-36.95,;27.36,-28.51,;28.69,-27.73,;30.02,-28.5,;31.35,-27.73,;31.35,-26.19,;30.01,-25.42,;28.68,-26.2,;20.69,-27.75,;20.69,-26.21,;22.02,-25.45,;22.02,-23.91,;20.68,-23.14,;19.35,-23.92,;19.36,-25.46,;9.98,-31.38,;8.65,-30.62,;7.33,-31.4,;7.35,-32.94,;8.67,-33.7,;10,-32.92,;11.34,-33.68,;12.66,-32.91,;14,-33.67,;6,-33.71,;4.66,-32.94,;3.33,-33.71,;6,-35.25,;4.66,-36.02,)| Show InChI InChI=1S/C76H100N12O8/c1-5-84(6-2)58-37-39-62-67(50-58)96-68-51-59(85(7-3)8-4)38-40-63(68)72(62)60-32-18-19-33-61(60)73(92)83-66(36-22-25-46-79)76(95)88(54-57-30-16-11-17-31-57)49-43-71(91)82-65(35-21-24-45-78)75(94)87(53-56-28-14-10-15-29-56)48-42-70(90)81-64(34-20-23-44-77)74(93)86(47-41-69(80)89)52-55-26-12-9-13-27-55/h9-19,26-33,37-40,50-51,64-66H,5-8,20-25,34-36,41-49,52-54,77-79H2,1-4H3,(H4-,80,81,82,83,89,90,91,92)/p+1/t64-,65-,66-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
N-formyl peptide receptor 2
(Homo sapiens (Human)) | BDBM50238907
(CHEMBL4082093)Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,wD:19.20,(18,-35.97,;16.67,-35.2,;16.67,-33.65,;18,-32.88,;19.33,-33.65,;15.32,-32.88,;15.31,-31.36,;13.98,-30.59,;12.66,-31.37,;11.32,-30.6,;11.31,-28.53,;9.96,-27.77,;9.96,-26.23,;11.29,-25.45,;12.63,-26.22,;12.63,-27.76,;13.96,-28.53,;13.96,-30.08,;15.31,-27.76,;16.67,-28.53,;16.67,-30.08,;18,-30.85,;18,-32.39,;19.33,-33.16,;20.67,-32.39,;18.02,-27.76,;18.02,-26.2,;19.36,-28.53,;19.36,-30.07,;20.7,-30.83,;22.03,-30.06,;22.03,-28.52,;23.37,-30.83,;24.7,-30.05,;24.69,-28.51,;26.02,-27.74,;26.02,-26.2,;27.35,-25.43,;27.35,-23.89,;26.03,-30.82,;26.04,-32.36,;27.36,-30.05,;28.7,-30.81,;28.7,-32.35,;30.04,-33.12,;31.37,-32.35,;30.04,-34.66,;31.38,-35.43,;32.71,-34.65,;34.05,-35.42,;35.38,-34.65,;36.71,-35.41,;38.05,-34.64,;31.38,-36.97,;30.05,-37.74,;32.72,-37.73,;32.72,-39.27,;31.39,-40.05,;31.4,-41.59,;30.06,-42.36,;32.73,-42.35,;34.05,-36.96,;35.39,-37.72,;35.39,-39.26,;36.72,-40.03,;38.06,-39.26,;38.05,-37.71,;36.71,-36.95,;27.36,-28.51,;28.69,-27.73,;30.02,-28.5,;31.35,-27.73,;31.35,-26.19,;30.01,-25.42,;28.68,-26.2,;20.69,-27.75,;20.69,-26.21,;22.02,-25.45,;22.02,-23.91,;20.68,-23.14,;19.35,-23.92,;19.36,-25.46,;9.98,-31.38,;8.65,-30.62,;7.33,-31.4,;7.35,-32.94,;8.67,-33.7,;10,-32.92,;11.34,-33.68,;12.66,-32.91,;14,-33.67,;6,-33.71,;4.66,-32.94,;3.33,-33.71,;6,-35.25,;4.66,-36.02,)| Show InChI InChI=1S/C76H100N12O8/c1-5-84(6-2)58-37-39-62-67(50-58)96-68-51-59(85(7-3)8-4)38-40-63(68)72(62)60-32-18-19-33-61(60)73(92)83-66(36-22-25-46-79)76(95)88(54-57-30-16-11-17-31-57)49-43-71(91)82-65(35-21-24-45-78)75(94)87(53-56-28-14-10-15-29-56)48-42-70(90)81-64(34-20-23-44-77)74(93)86(47-41-69(80)89)52-55-26-12-9-13-27-55/h9-19,26-33,37-40,50-51,64-66H,5-8,20-25,34-36,41-49,52-54,77-79H2,1-4H3,(H4-,80,81,82,83,89,90,91,92)/p+1/t64-,65-,66-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production p... |
J Med Chem 60: 6991-6997 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00489
BindingDB Entry DOI: 10.7270/Q2V40XFR |
More data for this
Ligand-Target Pair | |
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