BDBM50067731 6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-6-methyl-heptanoic acid 4-sulfamoyl-benzylamide::CHEMBL336658

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(=O)NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=CBPAWNUBPRHFPD-JWQCQUIFSA-N

Data: 1 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 1 hit for monomerid = 50067731   

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))	BDBM50067731 (6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(=O)NCc1ccc(cc1)S(N)(=O)=O |t:1| Show InChI InChI=1S/C31H42N2O5S/c1-20-9-14-25-24(16-20)29-26(34)17-22(18-27(29)38-31(25,4)5)30(2,3)15-7-6-8-28(35)33-19-21-10-12-23(13-11-21)39(32,36)37/h9-13,17-18,24-25,34H,6-8,14-16,19H2,1-5H3,(H,33,35)(H2,32,36,37)/t24-,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	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix, Inc. Curated by ChEMBL					Assay Description Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1)				J Med Chem 41: 4400-7 (1998) Article DOI: 10.1021/jm9803875 BindingDB Entry DOI: 10.7270/Q2M909CZ
					More data for this Ligand-Target Pair