BDBM50156111 CHEMBL3780471

SMILES: COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3cccc(C)c3C)C(C)(C)Oc2c1

InChI Key: InChIKey=YCDKBLKJPZTRIS-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 = 50156111   

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 1 (Homo sapiens (Human))	BDBM50156111 (CHEMBL3780471) Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3cccc(C)c3C)C(C)(C)Oc2c1 Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-27-22-10-9-21(35-5)15-25(22)36-28(3,4)23(27)16-30-33/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer				J Med Chem 59: 1840-53 (2016) BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50156111 (CHEMBL3780471) Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3cccc(C)c3C)C(C)(C)Oc2c1 Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-27-22-10-9-21(35-5)15-25(22)36-28(3,4)23(27)16-30-33/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer				J Med Chem 59: 1840-53 (2016) BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair