Found 321 hits with Last Name = 'hartley' and Initial = 'd' 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 |
|---|
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553757
(CHEMBL4746471)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3OC(F)(F)F)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM403740
(6-Chloro-7-((3-(cyclopropylmethyl)-7-methyl-3H-imi...)Show SMILES CN1C(=O)COc2cc(Nc3cc(C)c4ncn(CC5CC5)c4n3)c(Cl)cc12 Show InChI InChI=1S/C20H20ClN5O2/c1-11-5-17(24-20-19(11)22-10-26(20)8-12-3-4-12)23-14-7-16-15(6-13(14)21)25(2)18(27)9-28-16/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553762
(CHEMBL4758608)Show SMILES Cc1cc(Nc2ccc(cn2)-c2cnc3ncccn23)nc2n(CC3CC3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553763
(CHEMBL4785208)Show SMILES Cc1cc(Nc2ccc(cn2)-n2ccnc2)nc2n(CC3CC3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553764
(CHEMBL4749423)Show SMILES Fc1cc(Nc2nc3n(CC4CC4)cnc3c(F)c2F)ccc1-n1ccnc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553761
(CHEMBL4756857)Show SMILES Cc1nnc(o1)-c1ccc(Nc2cc(C)c3ncn(CC4CC4)c3n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553754
(CHEMBL4746482)Show SMILES CN1C(=O)COc2cc(Nc3cc(c4ncn(CC5CC5)c4n3)C(F)(F)F)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553753
(CHEMBL4799496)Show SMILES CN1C(=O)COc2cc(Nc3cc(C)c4ncn(CC5CC5)c4n3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553760
(CHEMBL4757188)Show SMILES FC(F)(F)c1cc(Nc2ccc(nc2)-n2cnc(Cl)c2)nc2n(cnc12)C1CC1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400239
(7-((1-(2-Cyclopropylethyl)-5-fluoro-1H-benzo[d]imi...)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CCC5CC5)cnc4cc3F)cnc12 Show InChI InChI=1S/C20H20FN5O2/c1-25-19(27)10-28-18-6-13(9-22-20(18)25)24-15-8-17-16(7-14(15)21)23-11-26(17)5-4-12-2-3-12/h6-9,11-12,24H,2-5,10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400243
(6-((3-(Cyclopropylmethyl)-7-methyl-3H-imidazo[4,5-...)Show SMILES CN1C(=O)COc2nc(Nc3cc(C)c4ncn(CC5CC5)c4n3)ccc12 Show InChI InChI=1S/C19H20N6O2/c1-11-7-15(22-18-17(11)20-10-25(18)8-12-3-4-12)21-14-6-5-13-19(23-14)27-9-16(26)24(13)2/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400238
(7-((1-((3,3-Difluorocyclobutyl)methyl)-5-fluoro-1H...)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC(F)(F)C5)cnc4cc3F)cnc12 Show InChI InChI=1S/C20H18F3N5O2/c1-27-18(29)9-30-17-2-12(7-24-19(17)27)26-14-4-16-15(3-13(14)21)25-10-28(16)8-11-5-20(22,23)6-11/h2-4,7,10-11,26H,5-6,8-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM400240
(7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12 Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553759
(CHEMBL4760677)Show SMILES Cc1cc(Nc2ccc(cn2)-c2ccncc2)nc2n(cnc12)C1CC1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50526866
(CHEMBL4581355)Show SMILES Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12 Show InChI InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553765
(CHEMBL4754539)Show SMILES Cc1c(F)c(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553749
(CHEMBL4761336)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ncc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553747
(CHEMBL4753738)Show SMILES CN1C(=O)C(F)(F)Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400240
(7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12 Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553758
(CHEMBL4800521)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3F)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553756
(CHEMBL4785991)Show SMILES CN1C(=O)COc2cc(Nc3nc(C)c4ncn(CC5CC5)c4n3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM400242
(N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...)Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12 Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553745
(CHEMBL4785872)Show SMILES CN1C(=O)CCc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553741
(CHEMBL4748984)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553755
(CHEMBL4794600)Show SMILES CN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)cnc12 | PDB
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UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553746
(CHEMBL4764668)Show SMILES CC1Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N(C)C1=O | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400242
(N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...)Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12 Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24) | PDB
Reactome pathway
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UniChem
| US Patent
| 18.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553752
(CHEMBL4796770)Show SMILES CN1C(=O)COc2cc(Nc3ccc4ncn(CC5CC5)c4n3)cnc12 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400234
(7-((1-(Cyclopropylmethyl)-1H-imidazo[4,5-b]pyrazin...)Show SMILES CN1C(=O)COc2cc(Nc3cnc4ncn(CC5CC5)c4n3)ccc12 Show InChI InChI=1S/C18H18N6O2/c1-23-13-5-4-12(6-14(13)26-9-16(23)25)21-15-7-19-17-18(22-15)24(10-20-17)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22) | PDB
Reactome pathway
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| US Patent
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400241
(7-((3-(Cyclopropylmethyl)-3H-imidazo[4,5-b]pyridin...)Show SMILES CN1C(=O)COc2ncc(Nc3ccc4ncn(CC5CC5)c4n3)cc12 Show InChI InChI=1S/C18H18N6O2/c1-23-14-6-12(7-19-18(14)26-9-16(23)25)21-15-5-4-13-17(22-15)24(10-20-13)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22) | PDB
Reactome pathway
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UniChem
| US Patent
| 34.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553750
(CHEMBL4761610)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)cnc12 | PDB
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| Article
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400236
(7-((9-(Cyclopropylmethyl)-9H-purin-2-yl)amino)-4-(...)Show SMILES COCCN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)ccc12 Show InChI InChI=1S/C20H22N6O3/c1-28-7-6-26-16-5-4-14(8-17(16)29-11-18(26)27)23-20-21-9-15-19(24-20)25(12-22-15)10-13-2-3-13/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23,24) | PDB
Reactome pathway
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UniChem
| US Patent
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400233
(4-Cyclopropyl-7-((1-(cyclopropylmethyl)-1H-imidazo...)Show SMILES O=C1COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N1C1CC1 Show InChI InChI=1S/C21H21N5O2/c27-21-11-28-19-7-14(3-6-17(19)26(21)15-4-5-15)24-20-8-18-16(9-22-20)23-12-25(18)10-13-1-2-13/h3,6-9,12-13,15H,1-2,4-5,10-11H2,(H,22,24) | PDB
Reactome pathway
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| US Patent
| 38.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM400235
(6-((1-(Cyclopropylmethyl)-1H-imidazo[4,5-b]pyrazin...)Show InChI InChI=1S/C17H16N6O2/c1-22-12-5-4-11(6-13(12)25-17(22)24)20-14-7-18-15-16(21-14)23(9-19-15)8-10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,20,21) | PDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description
The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ... |
US Patent US10016439 (2018)
BindingDB Entry DOI: 10.7270/Q2NC63J0 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553742
(CHEMBL4759403) | PDB
KEGG
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UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553748
(CHEMBL4794167)Show SMILES CN1C(=O)COc2nc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
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| Article
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553751
(CHEMBL4759785)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)n3)cnc12 | PDB
KEGG
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UniChem
| Article
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553744
(CHEMBL4741416) | PDB
KEGG
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UniChem
| Article
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| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553743
(CHEMBL4760815)Show SMILES CN1C(=O)COc2ccc(Nc3cc4n(CC5CC5)cnc4cn3)cc12 | PDB
KEGG
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| Article
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553734
(CHEMBL4778552) | PDB
KEGG
UniProtKB/SwissProt
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UniChem
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553740
(CHEMBL4776208) | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553738
(CHEMBL4747349) | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553739
(CHEMBL4585261) | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 319 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553735
(CHEMBL4792380) | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 459 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553736
(CHEMBL4798572) | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 972 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50539763
(Adagrasib | Mrtx-849 | Mrtx849)Show SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12 Show InChI InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant KRAS G12C mutant (unknown origin) assessed as rate of inactivation by LC-MS analysis |
J Med Chem 63: 6679-6693 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02052
BindingDB Entry DOI: 10.7270/Q2G164C5 |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553737
(CHEMBL4796860) | PDB
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297677
(CHEMBL551829 | N-benzyl-4-(4-(methylsulfonyl)pheny...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccccc2)n1)C(F)(F)F Show InChI InChI=1S/C19H16F3N3O2S/c1-28(26,27)15-9-7-14(8-10-15)16-11-17(19(20,21)22)25-18(24-16)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085
BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297675
(CHEMBL551148 | N-(4-fluorobenzyl)-4-(4-(methylsulf...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C19H15F4N3O2S/c1-29(27,28)15-8-4-13(5-9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3,(H,24,25,26) | 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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085
BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50297669
(CHEMBL561891 | N-cyclohexyl-4-(4-(methylsulfonyl)p...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC2CCCCC2)n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N3O2S/c1-27(25,26)14-9-7-12(8-10-14)15-11-16(18(19,20)21)24-17(23-15)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,22,23,24) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 ... |
Bioorg Med Chem Lett 19: 4504-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.085
BindingDB Entry DOI: 10.7270/Q20Z7396 |
More data for this
Ligand-Target Pair | |
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