BDBM50309035 1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)-4-(3,3-dimethylbutyl)piperazine::CHEMBL589579

SMILES: CC(C)(C)CCN1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1

InChI Key: InChIKey=HAXRXMINOCSQGA-IDISGSTGSA-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 = 50309035   

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))	BDBM50309035 (1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...) Show SMILES CC(C)(C)CCN1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C28H38Cl3N3/c1-28(2,3)12-13-32-14-16-33(17-15-32)19-21-4-11-27(25-10-7-23(30)18-26(25)31)34(20-21)24-8-5-22(29)6-9-24/h5-10,18,21,27H,4,11-17,19-20H2,1-3H3/t21-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 20: 1278-83 (2010) Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50309035 (1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...) Show SMILES CC(C)(C)CCN1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C28H38Cl3N3/c1-28(2,3)12-13-32-14-16-33(17-15-32)19-21-4-11-27(25-10-7-23(30)18-26(25)31)34(20-21)24-8-5-22(29)6-9-24/h5-10,18,21,27H,4,11-17,19-20H2,1-3H3/t21-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 1278-83 (2010) Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z
					More data for this Ligand-Target Pair