BDBM50222808 (4-benzyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3,4-b]indol-7-yl)(4-methylpiperidin-1-yl)methanone::CHEMBL400887

SMILES: CC1CCN(CC1)C(=O)c1ccc2n(Cc3ccccc3)c3CN(Cc3c2c1)C1CCCC1

InChI Key: InChIKey=WSRONXQDDJEMCU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50222808   

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))	BDBM50222808 ((4-benzyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(Cc3ccccc3)c3CN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C29H35N3O/c1-21-13-15-30(16-14-21)29(33)23-11-12-27-25(17-23)26-19-31(24-9-5-6-10-24)20-28(26)32(27)18-22-7-3-2-4-8-22/h2-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	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 1 (Homo sapiens (Human))	BDBM50222808 ((4-benzyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(Cc3ccccc3)c3CN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C29H35N3O/c1-21-13-15-30(16-14-21)29(33)23-11-12-27-25(17-23)26-19-31(24-9-5-6-10-24)20-28(26)32(27)18-22-7-3-2-4-8-22/h2-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18-20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	658	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