BDBM50222794 (2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indol-7-yl)(4-methoxypiperidin-1-yl)methanone::CHEMBL399948

SMILES: CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1

InChI Key: InChIKey=ICRCDAZBGGLEAU-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50222794   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50222794 ((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...) Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 17: 6183-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50222794 ((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...) Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50222794 ((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...) Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50222794 ((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...) Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 6183-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3
					More data for this Ligand-Target Pair