Found 6 hits of Enzyme Inhibition Constant Data 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 2
(Homo sapiens (Human)) | BDBM50496548
(CHEMBL3127262)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(C)CC)cc1 Show InChI InChI=1S/C25H33N3O2/c1-6-27(5)25(29)20-10-13-23-22(17-20)26-24(28(23)15-14-18(3)4)16-19-8-11-21(12-9-19)30-7-2/h8-13,17-18H,6-7,14-16H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ASBASJSM College of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist activity at human CB2 receptor |
Eur J Med Chem 76: 494-505 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.030
BindingDB Entry DOI: 10.7270/Q24B3494 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50496548
(CHEMBL3127262)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(C)CC)cc1 Show InChI InChI=1S/C25H33N3O2/c1-6-27(5)25(29)20-10-13-23-22(17-20)26-24(28(23)15-14-18(3)4)16-19-8-11-21(12-9-19)30-7-2/h8-13,17-18H,6-7,14-16H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ASBASJSM College of Pharmacy
Curated by ChEMBL
| Assay Description
Agonist activity at human CB1 receptor |
Eur J Med Chem 76: 494-505 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.030
BindingDB Entry DOI: 10.7270/Q24B3494 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
ASBASJSM College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human COX2 using arachidonic acid as substrate assessed as PGE2 formation incubated for 10 mins prior to substrate addition measured af... |
Eur J Med Chem 76: 494-505 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.030
BindingDB Entry DOI: 10.7270/Q24B3494 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50124787
(2-(5-Methoxy-1H-benzoimidazol-2-ylsulfanylmethyl)-...)Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C30H44N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(33)26(24)23-35-30-31-27-21-20-25(34-2)22-28(27)32-30/h16,18-22,33H,3-15,17,23H2,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ASBASJSM College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human COX2 |
Eur J Med Chem 76: 494-505 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.030
BindingDB Entry DOI: 10.7270/Q24B3494 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ASBASJSM College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human COX1 using arachidonic acid as substrate assessed as PGE2 formation incubated for 10 mins prior to substrate addition measured af... |
Eur J Med Chem 76: 494-505 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.030
BindingDB Entry DOI: 10.7270/Q24B3494 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50124787
(2-(5-Methoxy-1H-benzoimidazol-2-ylsulfanylmethyl)-...)Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C30H44N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(33)26(24)23-35-30-31-27-21-20-25(34-2)22-28(27)32-30/h16,18-22,33H,3-15,17,23H2,1-2H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ASBASJSM College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human COX1 |
Eur J Med Chem 76: 494-505 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.030
BindingDB Entry DOI: 10.7270/Q24B3494 |
More data for this
Ligand-Target Pair | |
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