new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'huang' and Initial = 'cr'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320187
PNG
((2R)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)
Show SMILES C[C@@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320184
PNG
(CHEMBL1086494 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES OCC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O3/c28-18-10-8-17(9-11-18)20-14-21-23(30-24(33)16-32)15-27(12-4-1-5-13-27)34-26(21)31-25(20)19-6-2-3-7-22(19)29/h2-3,6-11,14,23,32H,1,4-5,12-13,15-16H2,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314119
PNG
(3-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-pivaloy...)
Show SMILES CN(C)C(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C
Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)24(33)23-22(31-26(34)32(4)5)19-14-18(15-10-12-16(28)13-11-15)21(30-25(19)35-23)17-8-6-7-9-20(17)29/h6-14H,1-5H3,(H,31,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320186
PNG
((2S)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)
Show SMILES C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314122
PNG
(CHEMBL1091832 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)
Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl2N2O4/c1-13(2)23(32)24-22(28-20(31)12-30)18-11-17(14-7-9-15(26)10-8-14)21(29-25(18)33-24)16-5-3-4-6-19(16)27/h3-11,13,30H,12H2,1-2H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314118
PNG
(CHEMBL1090402 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)
Show SMILES CC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C
Show InChI InChI=1S/C26H22Cl2N2O3/c1-14(31)29-22-19-13-18(15-9-11-16(27)12-10-15)21(17-7-5-6-8-20(17)28)30-25(19)33-23(22)24(32)26(2,3)4/h5-13H,1-4H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320185
PNG
(CHEMBL1085566 | N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOR...)
Show SMILES CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H30Cl2N2O3/c1-28(2,35)27(34)32-24-17-29(14-6-3-7-15-29)36-26-22(24)16-21(18-10-12-19(30)13-11-18)25(33-26)20-8-4-5-9-23(20)31/h4-5,8-13,16,24,35H,3,6-7,14-15,17H2,1-2H3,(H,32,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204183
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...)
Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314121
PNG
(CHEMBL1089032 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)
Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22Cl2N2O4/c1-26(2,3)24(33)23-22(29-20(32)13-31)18-12-17(14-8-10-15(27)11-9-14)21(30-25(18)34-23)16-6-4-5-7-19(16)28/h4-12,31H,13H2,1-3H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314120
PNG
(CHEMBL1090404 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)
Show SMILES CNCC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C
Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)25(34)24-23(31-21(33)14-30-4)19-13-18(15-9-11-16(28)12-10-15)22(32-26(19)35-24)17-7-5-6-8-20(17)29/h5-13,30H,14H2,1-4H3,(H,31,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320183
PNG
(CHEMBL1086493 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES CC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O2/c1-17(32)30-24-16-27(13-5-2-6-14-27)33-26-22(24)15-21(18-9-11-19(28)12-10-18)25(31-26)20-7-3-4-8-23(20)29/h3-4,7-12,15,24H,2,5-6,13-14,16H2,1H3,(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160100
PNG
(2-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320176
PNG
(CHEMBL1083025 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320174
PNG
(CHEMBL1083014 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N2O3/c1-24(2)11-20(28-21(31)12-30)18-10-17(13-3-5-14(25)6-4-13)22(29-23(18)32-24)16-8-7-15(26)9-19(16)27/h3-10,20,30H,11-12H2,1-2H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314113
PNG
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)
Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl2N2O2/c1-12(2)21(28)22-19(26)17-11-16(13-7-9-14(24)10-8-13)20(27-23(17)29-22)15-5-3-4-6-18(15)25/h3-12H,26H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320198
PNG
(CHEMBL1084555 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320181
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-((R)-1...)
Show SMILES C[C@@H](O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34)/t14-,21?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320197
PNG
(CHEMBL1086013 | rac-2-tert-butyl-7-(2-chlorophenyl...)
Show SMILES CC(C)(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H21Cl2NO2/c1-24(2,3)21-13-20(28)18-12-17(14-8-10-15(25)11-9-14)22(27-23(18)29-21)16-6-4-5-7-19(16)26/h4-12,21H,13H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259339
PNG
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2n[nH]c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19Cl2N5O/c1-24(2,3)22-28-20-17(21-29-30-23(32)31(21)22)12-16(13-8-10-14(25)11-9-13)19(27-20)15-6-4-5-7-18(15)26/h4-12H,1-3H3,(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314112
PNG
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)
Show SMILES CC(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H17Cl3N2O2/c1-11(2)21(29)22-19(27)17-10-16(12-3-5-13(24)6-4-12)20(28-23(17)30-22)15-8-7-14(25)9-18(15)26/h3-11H,27H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320175
PNG
(CHEMBL1083016 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC(C)(CO)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)25(34)31-22-13-27(3,4)35-24-20(22)12-19(15-5-7-16(28)8-6-15)23(32-24)18-10-9-17(29)11-21(18)30/h5-12,22,33H,13-14H2,1-4H3,(H,31,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176420
PNG
(CHEMBL202169 | N-(3-acetyl-1-benzyl-6-(4-chlorophe...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H22Cl3N3O3/c1-17(38)27-29(35-18(2)39)25-15-24(20-8-10-21(32)11-9-20)28(23-13-12-22(33)14-26(23)34)36-30(25)37(31(27)40)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,35,39)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176424
PNG
(CHEMBL201388 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(C)Cn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320177
PNG
((2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-...)
Show SMILES C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320196
PNG
(CHEMBL1086012 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES CC(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C23H19Cl2NO2/c1-13(2)21-12-20(27)18-11-17(14-7-9-15(24)10-8-14)22(26-23(18)28-21)16-5-3-4-6-19(16)25/h3-11,13,21H,12H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204178
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-14(2)33-26(35)21-13-20(15-3-5-16(28)6-4-15)25(19-9-7-17(29)11-22(19)30)34-27(21)36-18-8-10-23(31)24(32)12-18/h3-14H,1-2H3,(H,33,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314114
PNG
((3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)...)
Show SMILES Nc1c(oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H15Cl3N2O2/c27-16-8-6-14(7-9-16)19-13-20-22(30)25(24(32)15-4-2-1-3-5-15)33-26(20)31-23(19)18-11-10-17(28)12-21(18)29/h1-13H,30H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320180
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDRO...)
Show SMILES CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176431
PNG
(CHEMBL371252 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES COCCn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl3N3O4/c1-14(34)23-25(31-15(2)35)21-13-20(16-4-6-17(28)7-5-16)24(19-9-8-18(29)12-22(19)30)32-26(21)33(27(23)36)10-11-37-3/h4-9,12-13H,10-11H2,1-3H3,(H,31,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204174
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204180
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-(3,5-di...)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H20Cl2F2N4O2S/c29-20-7-5-18(6-8-20)25-13-19(17-33)28(34-27(25)24-3-1-2-4-26(24)30)35-9-11-36(12-10-35)39(37,38)23-15-21(31)14-22(32)16-23/h1-8,13-16H,9-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204179
PNG
(5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204185
PNG
(2-(3-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H12Cl4N2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-17(26)11-19)30-23(21)20-9-8-18(27)12-22(20)28/h1-12H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320191
PNG
(CHEMBL1084038 | N-(5-(4-chlorophenyl)-6-(2,4-dichl...)
Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314108
PNG
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)
Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314116
PNG
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)
Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O2/c1-24(2,3)22(29)21-19(27)17-12-16(13-8-10-14(25)11-9-13)20(28-23(17)30-21)15-6-4-5-7-18(15)26/h4-12H,27H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320201
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2',3',5',6'-...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCSCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO2S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-30-12-10-24)29-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176423
PNG
(CHEMBL202064 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(CC2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24Cl3N3O4/c1-15(36)25-27(33-16(2)37)23-13-22(17-5-7-18(30)8-6-17)26(21-10-9-19(31)12-24(21)32)34-28(23)35(29(25)38)14-20-4-3-11-39-20/h5-10,12-13,20H,3-4,11,14H2,1-2H3,(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314123
PNG
(CHEMBL1092168 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)
Show SMILES CC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)O
Show InChI InChI=1S/C25H20Cl2N2O4/c1-13(30)28-21-18-12-17(14-8-10-15(26)11-9-14)20(16-6-4-5-7-19(16)27)29-24(18)33-22(21)23(31)25(2,3)32/h4-12,32H,1-3H3,(H,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314115
PNG
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)
Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19Cl3N2O2/c1-24(2,3)22(30)21-19(28)17-11-16(12-4-6-13(25)7-5-12)20(29-23(17)31-21)15-9-8-14(26)10-18(15)27/h4-11H,28H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204194
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-34(2)33-25(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)32-26(20)36-17-8-10-22(30)23(31)12-17/h3-13H,1-2H3,(H,33,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204187
PNG
(2-(1H-benzo[d][1,2,3]triazol-1-yl)-5-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1nnc2ccccc12
Show InChI InChI=1S/C24H12Cl3N5/c25-16-7-5-14(6-8-16)19-11-15(13-28)24(32-22-4-2-1-3-21(22)30-31-32)29-23(19)18-10-9-17(26)12-20(18)27/h1-12H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204176
PNG
(CHEMBL247910 | N-(2-(5-(4-chlorophenyl)-3-cyano-6-...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCCNC(=O)C2CCC2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204173
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,3-dimet...)
Show SMILES CC(C)(C)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2/c1-24(2,3)13-12-22-17(15-27)14-20(16-8-10-18(25)11-9-16)23(28-22)19-6-4-5-7-21(19)26/h4-11,14H,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259140
PNG
(2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophe...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccc(Cl)cc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22-28-20-17(21(30)29-22)11-16(12-4-6-13(24)7-5-12)19(27-20)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H,27,28,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor


Bioorg Med Chem Lett 20: 1448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204197
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-((tetr...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:15.15|
Show InChI InChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204195
PNG
(2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)
Show SMILES Clc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 221 total )  |  Next  |  Last  >>
Jump to: