Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50037143   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound was determined against to human cannabinoid receptor 2 in chinese hamster ovary cells				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272598 (6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...) Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound was determined against to human cannabinoid receptor 1 in chinese hamster ovary cells				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128092 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...) Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50128095 (7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...) Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128100 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...) Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50272598 (6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...) Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50128092 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...) Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128095 (7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...) Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128094 (6-Methoxy-2-(2-methoxy-benzyl)-5-(2-morpholin-4-yl...) Show SMILES COc1ccccc1Cn1ccc2n(CCN3CCOCC3)c3c(OC)cccc3c2c1=O Show InChI InChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128096 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...) Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)N(Cc1c(F)cccc1Cl)C(C)C Show InChI InChI=1S/C25H30ClFN4O3/c1-17(2)30(16-19-20(26)7-5-8-21(19)27)25(32)23-18-6-4-9-22(33-3)24(18)31(28-23)11-10-29-12-14-34-15-13-29/h4-9,17H,10-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128097 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...) Show SMILES COc1ccccc1CNC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12 Show InChI InChI=1S/C23H28N4O4/c1-29-19-8-4-3-6-17(19)16-24-23(28)21-18-7-5-9-20(30-2)22(18)27(25-21)11-10-26-12-14-31-15-13-26/h3-9H,10-16H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128098 (2-Ethyl-7-methoxy-1-(2-morpholin-4-yl-ethyl)-1H-in...) Show SMILES CCc1c(C(=O)NC2[C@@]3(C)CC[C@H](C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1 Show InChI InChI=1S/C28H41N3O3/c1-6-21-23(25(32)29-26-27(2,3)19-10-11-28(26,4)18-19)20-8-7-9-22(33-5)24(20)31(21)13-12-30-14-16-34-17-15-30/h7-9,19,26H,6,10-18H2,1-5H3,(H,29,32)/t19-,26?,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128093 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...) Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC(c1ccccc1)c1ccccn1 Show InChI InChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50128093 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...) Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC(c1ccccc1)c1ccccn1 Show InChI InChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50128100 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...) Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24?,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50128094 (6-Methoxy-2-(2-methoxy-benzyl)-5-(2-morpholin-4-yl...) Show SMILES COc1ccccc1Cn1ccc2n(CCN3CCOCC3)c3c(OC)cccc3c2c1=O Show InChI InChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair