Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50045014 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 |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50188489
((S)-2-Amino-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-p...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to NK1 receptor (unknown origin) |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50188489
((S)-2-Amino-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-p...)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50436553
(CHEMBL2396664)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50436553
(CHEMBL2396664)Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to NK1 receptor (unknown origin) |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041558
(CHEMBL2042018)Show InChI InChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to NK1 receptor (unknown origin) |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041558
(CHEMBL2042018)Show InChI InChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041561
(CHEMBL3358422)Show SMILES ONC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C17H18N2O4/c20-16(19-22)15(11-13-7-3-1-4-8-13)18-17(21)23-12-14-9-5-2-6-10-14/h1-10,15,22H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041558
(CHEMBL2042018)Show InChI InChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041562
(CHEMBL3358423)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C24H23N3O4/c28-22(20-14-8-3-9-15-20)26-27-23(29)21(16-18-10-4-1-5-11-18)25-24(30)31-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041563
(CHEMBL3358424)Show SMILES O=C(N[C@@H](Cc1ccccc1)c1nnc(o1)-c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C24H21N3O3/c28-24(29-17-19-12-6-2-7-13-19)25-21(16-18-10-4-1-5-11-18)23-27-26-22(30-23)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041559
(CHEMBL3358420)Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NC#N)OCc1ccccc1 |r| Show InChI InChI=1S/C18H17N3O3/c19-13-20-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-12-15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,20,22)(H,21,23)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50041560
(CHEMBL3358421)Show SMILES CS(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H20N2O5S/c1-26(23,24)20-17(21)16(12-14-8-4-2-5-9-14)19-18(22)25-13-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis |
ACS Med Chem Lett 5: 1272-7 (2014)
Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V |
More data for this
Ligand-Target Pair | |
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