Found 239 hits with Last Name = 'bertamino' and Initial = 'a' 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 |
|---|
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82141
(WIN 55212-2)Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6| Show InChI InChI=1S/C27H28N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.30 | -46.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82135
(5-Substituted derivative, 5)Show SMILES Clc1ccc2N(CCN3CCOCC3)C(=O)\C(=N/c3cccc4ccccc34)c2c1 Show InChI InChI=1S/C24H22ClN3O2/c25-18-8-9-22-20(16-18)23(24(29)28(22)11-10-27-12-14-30-15-13-27)26-21-7-3-5-17-4-1-2-6-19(17)21/h1-9,16H,10-15H2/b26-23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40 | -46.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82140
(4-methyl-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-...)Show InChI InChI=1S/C22H27N3O/c1-18-6-8-20(9-7-18)23-16-19-17-25(22-5-3-2-4-21(19)22)11-10-24-12-14-26-15-13-24/h2-9,17,23H,10-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.7 | -44.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82139
(4-chloro-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-...)Show InChI InChI=1S/C21H24ClN3O/c22-18-5-7-19(8-6-18)23-15-17-16-25(21-4-2-1-3-20(17)21)10-9-24-11-13-26-14-12-24/h1-8,16,23H,9-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24.1 | -43.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82137
(4-methoxy-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol...)Show InChI InChI=1S/C22H27N3O2/c1-26-20-8-6-19(7-9-20)23-16-18-17-25(22-5-3-2-4-21(18)22)11-10-24-12-14-27-15-13-24/h2-9,17,23H,10-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42.6 | -42.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82138
(N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}meth...)Show SMILES C(Cn1cc(CNc2cccc3ccccc23)c2ccccc12)N1CCOCC1 Show InChI InChI=1S/C25H27N3O/c1-2-8-22-20(6-1)7-5-10-24(22)26-18-21-19-28(25-11-4-3-9-23(21)25)13-12-27-14-16-29-17-15-27/h1-11,19,26H,12-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49.4 | -41.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82136
(5-Substituted derivative, 6)Show SMILES Cc1ccc2N(CCN3CCOCC3)C(=O)\C(=N/c3cccc4ccccc34)c2c1 Show InChI InChI=1S/C25H25N3O2/c1-18-9-10-23-21(17-18)24(25(29)28(23)12-11-27-13-15-30-16-14-27)26-22-8-4-6-19-5-2-3-7-20(19)22/h2-10,17H,11-16H2,1H3/b26-24- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69.6 | -40.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82132
(5-Substituted derivative, 2)Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc12 Show InChI InChI=1S/C21H22ClN3O3/c1-27-17-5-3-16(4-6-17)23-20-18-14-15(22)2-7-19(18)25(21(20)26)9-8-24-10-12-28-13-11-24/h2-7,14H,8-13H2,1H3/b23-20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 74.6 | -40.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82131
(3-(Arylimino)-1-(2-morpholin-4-yl-ethyl)-1,3-dihyd...)Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(CCN2CCOCC2)c2ccccc12 Show InChI InChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)22-20-18-4-2-3-5-19(18)24(21(20)25)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3/b22-20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 311 | -37.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82133
(5-Substituted derivative, 3)Show SMILES COc1ccc(cc1)\N=C1/C(=O)N(CCN2CCOCC2)c2ccc(C)cc12 Show InChI InChI=1S/C22H25N3O3/c1-16-3-8-20-19(15-16)21(23-17-4-6-18(27-2)7-5-17)22(26)25(20)10-9-24-11-13-28-14-12-24/h3-8,15H,9-14H2,1-2H3/b23-21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 390 | -36.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM82134
(3-(Arylimino)-1-(2-morpholin-4-yl-ethyl)-1,3-dihyd...)Show SMILES O=C1N(CCN2CCOCC2)c2ccccc2\C1=N\c1cccc2ccccc12 Show InChI InChI=1S/C24H23N3O2/c28-24-23(25-21-10-5-7-18-6-1-2-8-19(18)21)20-9-3-4-11-22(20)27(24)13-12-26-14-16-29-17-15-26/h1-11H,12-17H2/b25-23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 553 | -35.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Università di Napoli Federico II
| Assay Description
CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand. |
Chem Biol Drug Des 75: 106-14 (2010)
Article DOI: 10.1111/j.1747-0285.2009.00910.x
BindingDB Entry DOI: 10.7270/Q2GM85SK |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50465610
(CHEMBL4295040)Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50465611
(CHEMBL4284808)Show InChI InChI=1S/C24H30N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1,3-4,7-10,13-14,17,21,25H,2,5-6,11-12,15-16,18-19H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50544523
(CHEMBL4647674)Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)N(Cc1ccc(F)cc1)C2=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H19ClFN3O2/c27-17-9-7-16(8-10-17)24-23-20(19-3-1-2-4-21(19)29-23)13-22-25(32)30(26(33)31(22)24)14-15-5-11-18(28)12-6-15/h1-12,22,24,29H,13-14H2/t22-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50544513
(CHEMBL4649088)Show SMILES [H][C@@]12Cc3c(CN1C(=O)[C@@H](Cc1ccccc1)NC2=O)[nH]c1ccccc31 |r| Show InChI InChI=1S/C21H19N3O2/c25-20-19-11-15-14-8-4-5-9-16(14)22-18(15)12-24(19)21(26)17(23-20)10-13-6-2-1-3-7-13/h1-9,17,19,22H,10-12H2,(H,23,25)/t17-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50544531
(CHEMBL4648953)Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@@H](N1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H17F4N3O2/c27-16-10-8-14(9-11-16)23-22-19(18-6-1-2-7-20(18)31-22)13-21-24(34)32(25(35)33(21)23)17-5-3-4-15(12-17)26(28,29)30/h1-12,21,23,31H,13H2/t21-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50544501
(CHEMBL4647444)Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O2/c1-30-26(29)23-16-21-20-14-8-9-15-22(20)27-24(21)25(19-12-6-3-7-13-19)28(23)17-18-10-4-2-5-11-18/h2-15,23,25,27H,16-17H2,1H3/t23-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
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 Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50544506
(CHEMBL4647464)Show SMILES COC(=O)CC[C@H]1N[C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H24FN3O3/c1-30-21(28)11-10-19-22-17(16-4-2-3-5-18(16)27-22)12-20(26-19)23(29)25-13-14-6-8-15(24)9-7-14/h2-9,19-20,26-27H,10-13H2,1H3,(H,25,29)/t19-,20+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50430016
(CHEMBL2335444)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C197H335N67O41S2/c1-17-109(11)156(184(297)233-104-153(272)235-123(64-43-86-223-193(212)213)164(277)234-113(15)160(273)238-124(58-29-36-79-199)165(278)243-132(67-46-89-226-196(218)219)174(287)257-154(107(7)8)185(298)258-155(108(9)10)186(299)262-159(191(304)305)112(14)20-4)259-176(289)133(71-74-146(206)265)236-152(271)103-232-163(276)138(94-106(5)6)252-171(284)128(62-33-40-83-203)249-183(296)144-69-48-91-263(144)190(303)145-70-49-92-264(145)189(302)137(68-47-90-227-197(220)221)251-169(282)126(60-31-38-81-201)246-182(295)143(105-306)237-151(270)102-230-150(269)101-231-162(275)122(57-28-35-78-198)240-166(279)125(59-30-37-80-200)244-179(292)140(96-115-99-228-120-55-26-24-52-117(115)120)254-170(283)127(61-32-39-82-202)241-173(286)136(77-93-307-16)248-168(281)130(65-44-87-224-194(214)215)242-167(280)131(66-45-88-225-195(216)217)245-181(294)142(98-149(209)268)255-172(285)134(72-75-147(207)266)247-178(291)139(95-114-50-22-21-23-51-114)253-180(293)141(97-116-100-229-121-56-27-25-53-118(116)121)256-188(301)158(111(13)19-3)260-175(288)129(63-34-41-84-204)250-187(300)157(110(12)18-2)261-177(290)135(73-76-148(208)267)239-161(274)119(205)54-42-85-222-192(210)211/h21-27,50-53,55-56,99-100,106-113,119,122-145,154-159,228-229,306H,17-20,28-49,54,57-98,101-105,198-205H2,1-16H3,(H2,206,265)(H2,207,266)(H2,208,267)(H2,209,268)(H,230,269)(H,231,275)(H,232,276)(H,233,297)(H,234,277)(H,235,272)(H,236,271)(H,237,270)(H,238,273)(H,239,274)(H,240,279)(H,241,286)(H,242,280)(H,243,278)(H,244,292)(H,245,294)(H,246,295)(H,247,291)(H,248,281)(H,249,296)(H,250,300)(H,251,282)(H,252,284)(H,253,293)(H,254,283)(H,255,285)(H,256,301)(H,257,287)(H,258,298)(H,259,289)(H,260,288)(H,261,290)(H,262,299)(H,304,305)(H4,210,211,222)(H4,212,213,223)(H4,214,215,224)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)/t109-,110-,111-,112-,113-,119-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,154-,155-,156-,157-,158-,159-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Naples Federico II
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by ... |
Eur J Med Chem 62: 425-34 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.053
BindingDB Entry DOI: 10.7270/Q2NV9KK6 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50544503
(CHEMBL4644158)Show SMILES Fc1ccc(CNC(=O)[C@@H]2Cc3c(CN2)[nH]c2ccccc32)cc1 |r| Show InChI InChI=1S/C19H18FN3O/c20-13-7-5-12(6-8-13)10-22-19(24)17-9-15-14-3-1-2-4-16(14)23-18(15)11-21-17/h1-8,17,21,23H,9-11H2,(H,22,24)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50465610
(CHEMBL4295040)Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d... |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50430015
(CHEMBL2335442)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6])-[#6]-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C157H289N65O34S/c1-12-86(9)119(141(248)195-81-116(227)197-90(43-25-67-186-150(169)170)124(231)196-88(11)121(228)199-91(38-14-19-61-158)125(232)206-100(48-30-72-191-155(179)180)136(243)215-117(84(5)6)142(249)216-118(85(7)8)143(250)218-120(148(255)256)87(10)13-2)217-137(244)101(55-58-112(164)223)198-115(226)80-194-123(230)106(79-83(3)4)213-133(240)95(42-18-23-65-162)209-139(246)108-51-33-75-219(108)146(253)110-53-35-77-221(110)144(251)104(49-31-73-192-156(181)182)211-131(238)94(41-17-22-64-161)207-138(245)107(82-257)214-135(242)103(57-60-114(166)225)210-140(247)109-52-34-76-220(109)147(254)111-54-36-78-222(111)145(252)105(50-32-74-193-157(183)184)212-132(239)99(47-29-71-190-154(177)178)204-129(236)97(45-27-69-188-152(173)174)205-134(241)102(56-59-113(165)224)208-130(237)98(46-28-70-189-153(175)176)203-128(235)96(44-26-68-187-151(171)172)202-127(234)93(40-16-21-63-160)201-126(233)92(39-15-20-62-159)200-122(229)89(163)37-24-66-185-149(167)168/h83-111,117-120,257H,12-82,158-163H2,1-11H3,(H2,164,223)(H2,165,224)(H2,166,225)(H,194,230)(H,195,248)(H,196,231)(H,197,227)(H,198,226)(H,199,228)(H,200,229)(H,201,233)(H,202,234)(H,203,235)(H,204,236)(H,205,241)(H,206,232)(H,207,245)(H,208,237)(H,209,246)(H,210,247)(H,211,238)(H,212,239)(H,213,240)(H,214,242)(H,215,243)(H,216,249)(H,217,244)(H,218,250)(H,255,256)(H4,167,168,185)(H4,169,170,186)(H4,171,172,187)(H4,173,174,188)(H4,175,176,189)(H4,177,178,190)(H4,179,180,191)(H4,181,182,192)(H4,183,184,193)/t86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-,120-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Naples Federico II
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by ... |
Eur J Med Chem 62: 425-34 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.053
BindingDB Entry DOI: 10.7270/Q2NV9KK6 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha
(Homo sapiens (Human)) | BDBM50430014
(CHEMBL2335479)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C136H240N44O39/c1-18-72(14)105(176-117(203)82(45-47-94(142)181)159-95(182)65-155-110(196)86(59-67(4)5)167-113(199)79(37-23-27-51-139)163-123(209)92-43-33-57-179(92)131(217)93-44-34-58-180(93)130(216)84(42-32-56-154-136(149)150)165-109(195)76(141)35-21-25-49-137)124(210)156-66-96(183)158-77(39-29-53-151-133(143)144)111(197)157-75(17)108(194)160-78(36-22-26-50-138)112(198)161-80(40-30-54-152-134(145)146)115(201)173-103(70(10)11)126(212)175-104(71(12)13)127(213)178-107(74(16)20-3)128(214)164-83(46-48-97(184)185)114(200)168-89(62-99(188)189)120(206)169-88(61-98(186)187)119(205)162-81(41-31-55-153-135(147)148)116(202)177-106(73(15)19-2)129(215)172-90(63-100(190)191)121(207)170-91(64-101(192)193)122(208)174-102(69(8)9)125(211)171-87(60-68(6)7)118(204)166-85(132(218)219)38-24-28-52-140/h67-93,102-107H,18-66,137-141H2,1-17H3,(H2,142,181)(H,155,196)(H,156,210)(H,157,197)(H,158,183)(H,159,182)(H,160,194)(H,161,198)(H,162,205)(H,163,209)(H,164,214)(H,165,195)(H,166,204)(H,167,199)(H,168,200)(H,169,206)(H,170,207)(H,171,211)(H,172,215)(H,173,201)(H,174,208)(H,175,212)(H,176,203)(H,177,202)(H,178,213)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,218,219)(H4,143,144,151)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-,103-,104-,105-,106-,107-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Naples Federico II
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by ... |
Eur J Med Chem 62: 425-34 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.053
BindingDB Entry DOI: 10.7270/Q2NV9KK6 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592161
(CHEMBL5198220)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50591532
(CHEMBL4590950) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50544500
(CHEMBL4649195)Show SMILES COC(=O)C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50591533
(CHEMBL4449485)Show SMILES CC(C)(C)CNC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592164
(CHEMBL5208212)Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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PC sid
UniChem
| Article
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592161
(CHEMBL5198220)Show SMILES COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592165
(CHEMBL5198707)Show SMILES COC(=O)[C@H](Cc1ccc(N)cc1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50591535
(CHEMBL5185907) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50591533
(CHEMBL4449485)Show SMILES CC(C)(C)CNC(=O)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50544531
(CHEMBL4648953)Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@@H](N1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H17F4N3O2/c27-16-10-8-14(9-11-16)23-22-19(18-6-1-2-7-20(18)31-22)13-21-24(34)32(25(35)33(21)23)17-5-3-4-15(12-17)26(28,29)30/h1-12,21,23,31H,13H2/t21-,23-/m0/s1 | PDB
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University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592165
(CHEMBL5198707)Show SMILES COC(=O)[C@H](Cc1ccc(N)cc1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592163
(CHEMBL5169807)Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592159
(CHEMBL5193429)Show SMILES COC(=O)[C@H](Cc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50591532
(CHEMBL4590950) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
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UniChem
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592160
(CHEMBL5182352)Show SMILES COC(=O)[C@H](Cc1ccc(C)cc1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM109086
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38) | PDB
MMDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592162
(CHEMBL5205458)Show SMILES COC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
Beta-adrenergic receptor kinase 1
(Homo sapiens (Human)) | BDBM50441685
(CHEMBL2435840)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(O)=O |r,wU:46.51,8.10,2.2,wD:54.59,35.43,24.32,14.21,4.4,(31.59,-26.8,;31.59,-25.27,;32.95,-24.49,;34.27,-25.25,;32.95,-22.91,;31.59,-22.13,;30.27,-22.9,;30.27,-24.47,;28.91,-22.11,;28.91,-20.59,;30.27,-19.8,;27.59,-22.88,;26.24,-22.1,;26.24,-20.57,;24.91,-22.86,;24.91,-24.42,;26.24,-25.19,;27.64,-24.59,;28.66,-25.75,;27.88,-27.08,;26.37,-26.75,;23.55,-22.08,;22.23,-22.84,;22.23,-24.41,;20.87,-22.05,;20.87,-20.53,;22.23,-19.74,;22.23,-18.21,;23.58,-17.43,;23.58,-15.9,;22.26,-15.14,;24.94,-15.12,;19.55,-22.82,;18.19,-22.04,;18.19,-20.51,;16.87,-22.8,;16.87,-24.36,;18.19,-25.13,;18.19,-26.7,;19.51,-27.47,;19.51,-29.03,;18.16,-29.81,;20.84,-29.79,;15.51,-22.02,;14.19,-22.78,;14.19,-24.35,;12.83,-22,;12.83,-20.47,;14.19,-19.69,;14.19,-18.16,;15.55,-20.47,;11.51,-22.77,;10.16,-21.98,;10.16,-20.45,;8.82,-22.75,;8.82,-24.31,;10.15,-25.08,;10.15,-26.64,;11.48,-24.31,;7.48,-21.97,;6.14,-22.75,;6.14,-24.29,;4.8,-21.97,;3.47,-22.74,;34.27,-22.16,;35.63,-22.94,;34.27,-20.63,)| Show InChI InChI=1S/C41H74N16O10/c1-7-23(6)32(39(66)67)57-38(65)30(19-58)56-37(64)29(16-24-18-47-20-50-24)55-34(61)26(11-9-13-49-41(45)46)52-33(60)25(10-8-12-48-40(43)44)53-36(63)28(15-22(4)5)54-35(62)27(14-21(2)3)51-31(59)17-42/h18,20-23,25-30,32,58H,7-17,19,42H2,1-6H3,(H,47,50)(H,51,59)(H,52,60)(H,53,63)(H,54,62)(H,55,61)(H,56,64)(H,57,65)(H,66,67)(H4,43,44,48)(H4,45,46,49)/t23-,25-,26+,27-,28-,29-,30-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Federico II" University of Naples
Curated by ChEMBL
| Assay Description
Inhibition of GRK-2 (unknown origin)-mediated phosphorylation of rhodopsin in bovine-rod outer segment membranes incubated under white light conditio... |
Eur J Med Chem 69: 384-92 (2013)
Article DOI: 10.1016/j.ejmech.2013.08.039
BindingDB Entry DOI: 10.7270/Q27W6DNH |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50159505
(CHEMBL1779158 | N,N-Dibenzyltryptamine)Show InChI InChI=1S/C24H24N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1-14,17,25H,15-16,18-19H2 | PDB
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University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol mediated current amplitude at +80 mV holding potential b... |
J Med Chem 59: 2179-91 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01914
BindingDB Entry DOI: 10.7270/Q2B85B1Z |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50591524
(CHEMBL5202375)Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(CCc3ccc(F)cc3)CCc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50544513
(CHEMBL4649088)Show SMILES [H][C@@]12Cc3c(CN1C(=O)[C@@H](Cc1ccccc1)NC2=O)[nH]c1ccccc31 |r| Show InChI InChI=1S/C21H19N3O2/c25-20-19-11-15-14-8-4-5-9-16(14)22-18(15)12-24(19)21(26)17(23-20)10-13-6-2-1-3-7-13/h1-9,17,19,22H,10-12H2,(H,23,25)/t17-,19+/m1/s1 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b... |
J Med Chem 63: 9672-9694 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50591539
(CHEMBL5170803)Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)N=O)CCc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| PC cid
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UniChem
| Article
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| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50591539
(CHEMBL5170803)Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)N=O)CCc2c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
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UniChem
| Article
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50591522
(CHEMBL4473010)Show SMILES CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(F)cc3)CCc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00817
BindingDB Entry DOI: 10.7270/Q2GT5S5W |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
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University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol mediated current amplitude at +80 mV holding potential b... |
J Med Chem 59: 2179-91 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01914
BindingDB Entry DOI: 10.7270/Q2B85B1Z |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50133817
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) | PDB
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| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPM8 (unknown origin) assessed as reduction in menthol-induced calcium influx |
J Med Chem 61: 6140-6152 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Rattus norvegicus (Rat)) | BDBM50592164
(CHEMBL5208212)Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)N(Cc1ccccc1)Cc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36 |
More data for this
Ligand-Target Pair | |
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