BDBM50205171 CHEMBL230182::N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methylpropane-2-sulfonamide

SMILES: C[C@H](NS(=O)(=O)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N

InChI Key: InChIKey=YHSVWWIRWSQOCO-MGPUTAFESA-N

Data: 3 IC50

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 3 hits for monomerid = 50205171   

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))	BDBM50205171 (CHEMBL230182 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NS(=O)(=O)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C21H25ClN2O2S/c1-15(24-27(25,26)21(2,3)4)20(13-16-8-10-19(22)11-9-16)18-7-5-6-17(12-18)14-23/h5-12,15,20,24H,13H2,1-4H3/t15-,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2184-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.087 BindingDB Entry DOI: 10.7270/Q2HM584G
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50205171 (CHEMBL230182 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NS(=O)(=O)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C21H25ClN2O2S/c1-15(24-27(25,26)21(2,3)4)20(13-16-8-10-19(22)11-9-16)18-7-5-6-17(12-18)14-23/h5-12,15,20,24H,13H2,1-4H3/t15-,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Antagonist activity against human recombinant cannabinoid-1 receptor				Bioorg Med Chem Lett 19: 2990-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.037 BindingDB Entry DOI: 10.7270/Q2CN7543
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50205171 (CHEMBL230182 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NS(=O)(=O)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C21H25ClN2O2S/c1-15(24-27(25,26)21(2,3)4)20(13-16-8-10-19(22)11-9-16)18-7-5-6-17(12-18)14-23/h5-12,15,20,24H,13H2,1-4H3/t15-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2184-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.087 BindingDB Entry DOI: 10.7270/Q2HM584G
					More data for this Ligand-Target Pair