Found 550 hits with Last Name = 'jochnowitz' and Initial = 'n' 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 |
|---|
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325767
(3-(2'-chlorobiphenyl-3-yl)-1H-pyrazole-1-carboxami...)Show InChI InChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325766
(3-(2'-chlorobiphenyl-4-yl)-1H-pyrazole-1-carboxami...)Show InChI InChI=1S/C16H12ClN3O/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15-9-10-20(19-15)16(18)21/h1-10H,(H2,18,21) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325765
(3-(4-(4-chloro-2-fluorophenoxy)phenyl)-1H-pyrazole...)Show InChI InChI=1S/C16H11ClFN3O2/c17-11-3-6-15(13(18)9-11)23-12-4-1-10(2-5-12)14-7-8-21(20-14)16(19)22/h1-9H,(H2,19,22) | PDB
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325764
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23) | PDB
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PC sid
UniChem
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| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325819
((Z)-5-((2'-(trifluoromethoxy)biphenyl-3-yl)methyle...)Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)-c1ccccc1OC(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C17H10F3NO3S/c18-17(19,20)24-13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-14-15(22)21-16(23)25-14/h1-9H,(H,21,22,23) | PDB
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| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human Nav1.7 |
Bioorg Med Chem Lett 20: 5536-40 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325764
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23) | PDB
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UniChem
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| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 by VIPR assay |
Bioorg Med Chem Lett 20: 7479-82 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325762
(1-(2',4'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...)Show SMILES Cc1cc(nn1-c1cccc(c1)-c1ccc(cc1C(F)(F)F)C(F)(F)F)C(N)=O Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-6-5-12(18(20,21)22)9-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29) | PDB
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PC cid
PC sid
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| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 by VIPR assay |
Bioorg Med Chem Lett 20: 7479-82 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50141073
((E)-2-(4-(4-fluorophenoxy)benzylidene)hydrazinecar...)Show InChI InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19) | PDB
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| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human Nav1.7 |
Bioorg Med Chem Lett 20: 5536-40 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021345
(CHEMBL3287928)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3 | PDB
MMDB
Reactome pathway
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PubMed
| 637 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021331
(CHEMBL3287930)Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3 | PDB
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PC sid
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| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350538
(CHEMBL1812717)Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3 | PDB
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021346
(CHEMBL3287926)Show InChI InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20) | PDB
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| 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021329
(CHEMBL3287932)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3 | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021344
(CHEMBL3287929)Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021334
(CHEMBL3287931)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3 | PDB
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Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 2.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021330
(CHEMBL3287927)Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2 | PDB
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Reactome pathway
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| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434318
(CHEMBL2386566)Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434329
(CHEMBL2386554)Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434329
(CHEMBL2386554)Show SMILES Cn1cc(Sc2ccc(Cl)cc2)c(n1)-c1ccc2ccc(nc2c1)C(N)=O Show InChI InChI=1S/C20H15ClN4OS/c1-25-11-18(27-15-7-5-14(21)6-8-15)19(24-25)13-3-2-12-4-9-16(20(22)26)23-17(12)10-13/h2-11H,1H3,(H2,22,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434316
(CHEMBL2386568)Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434318
(CHEMBL2386566)Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H22ClN3OS/c1-25(2)21(27)19-12-18(19)14-4-6-15(7-5-14)20-22(26(3)13-24-20)28-17-10-8-16(23)9-11-17/h4-11,13,18-19H,12H2,1-3H3/t18-,19+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434317
(CHEMBL2386567)Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434315
(CHEMBL2386569)Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r| Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434313
(CHEMBL2386571)Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434314
(CHEMBL2386570)Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434322
(CHEMBL2386562)Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C20H19ClN4OS/c1-22-19(26)16-9-15(16)12-3-5-13(6-4-12)18-20(25(2)11-24-18)27-17-8-7-14(21)10-23-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,26)/t15-,16+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434314
(CHEMBL2386570)Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H23ClFN3OS/c1-27(12-11-25)22(29)20-13-19(20)15-3-5-16(6-4-15)21-23(28(2)14-26-21)30-18-9-7-17(24)8-10-18/h3-10,14,19-20H,11-13H2,1-2H3/t19-,20+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434315
(CHEMBL2386569)Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r| Show InChI InChI=1S/C22H21ClFN3OS/c1-27-13-26-20(22(27)29-17-8-6-16(23)7-9-17)15-4-2-14(3-5-15)18-12-19(18)21(28)25-11-10-24/h2-9,13,18-19H,10-12H2,1H3,(H,25,28)/t18-,19+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434316
(CHEMBL2386568)Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H20ClN3OS/c1-23-20(26)18-11-17(18)13-3-5-14(6-4-13)19-21(25(2)12-24-19)27-16-9-7-15(22)8-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,23,26)/t17-,18+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434320
(CHEMBL2386564)Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r| Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434313
(CHEMBL2386571)Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434317
(CHEMBL2386567)Show SMILES Cn1cnc(c1Sc1ccc(Cl)cc1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C20H18ClN3OS/c1-24-11-23-18(20(24)26-15-8-6-14(21)7-9-15)13-4-2-12(3-5-13)16-10-17(16)19(22)25/h2-9,11,16-17H,10H2,1H3,(H2,22,25)/t16-,17+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434319
(CHEMBL2386565)Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434319
(CHEMBL2386565)Show SMILES CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C22H22ClFN4OS/c1-27(10-9-24)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(2)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434321
(CHEMBL2386563)Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(CCF)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C22H22ClFN4OS/c1-27(2)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(10-9-24)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434323
(CHEMBL2386561)Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C19H17ClN4OS/c1-24-10-23-17(19(24)26-16-7-6-13(20)9-22-16)12-4-2-11(3-5-12)14-8-15(14)18(21)25/h2-7,9-10,14-15H,8H2,1H3,(H2,21,25)/t14-,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434328
(CHEMBL2386555)Show SMILES NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)C1CC1 |r| Show InChI InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434320
(CHEMBL2386564)Show SMILES Cn1cnc(c1Sc1ccc(Cl)cn1)-c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NCCF |r| Show InChI InChI=1S/C21H20ClFN4OS/c1-27-12-26-19(21(27)29-18-7-6-15(22)11-25-18)14-4-2-13(3-5-14)16-10-17(16)20(28)24-9-8-23/h2-7,11-12,16-17H,8-10H2,1H3,(H,24,28)/t16-,17+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434321
(CHEMBL2386563)Show SMILES CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(CCF)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C22H22ClFN4OS/c1-27(2)21(29)18-11-17(18)14-3-5-15(6-4-14)20-22(28(10-9-24)13-26-20)30-19-8-7-16(23)12-25-19/h3-8,12-13,17-18H,9-11H2,1-2H3/t17-,18+/m1/s1 | PDB
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50021344
(CHEMBL3287929)Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50434328
(CHEMBL2386555)Show SMILES NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)C1CC1 |r| Show InChI InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50434322
(CHEMBL2386562)Show SMILES CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1ncn(C)c1Sc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C20H19ClN4OS/c1-22-19(26)16-9-15(16)12-3-5-13(6-4-12)18-20(25(2)11-24-18)27-17-8-7-14(21)10-23-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,22,26)/t15-,16+/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin p... |
ACS Med Chem Lett 4: 509-13 (2013)
Article DOI: 10.1021/ml4000996
BindingDB Entry DOI: 10.7270/Q21R6RWJ |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50021334
(CHEMBL3287931)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50021345
(CHEMBL3287928)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50021330
(CHEMBL3287927)Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50332656
(CHEMBL1631089 | ethyl 3-carbamoyl-1-(2'-(trifluoro...)Show SMILES CCOC(=O)c1cc(nn1-c1cccc(c1)-c1ccccc1OC(F)(F)F)C(N)=O Show InChI InChI=1S/C20H16F3N3O4/c1-2-29-19(28)16-11-15(18(24)27)25-26(16)13-7-5-6-12(10-13)14-8-3-4-9-17(14)30-20(21,22)23/h3-11H,2H2,1H3,(H2,24,27) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 by VIPR assay |
Bioorg Med Chem Lett 20: 7479-82 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50021331
(CHEMBL3287930)Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1
(Homo sapiens (Human)) | BDBM50350538
(CHEMBL1812717)Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50350538
(CHEMBL1812717)Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228080
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 | PDB
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TBA
| Assay Description
Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2016.04.052
BindingDB Entry DOI: 10.7270/Q2S46WP4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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