BDBM50301030 CHEMBL567679::N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(4-(trifluoromethyl)pyridin-2-ylamino)propanamide

SMILES: C[C@H](NC(=O)C(C)(C)Nc1cc(ccn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N

InChI Key: InChIKey=YYHJKDYUEKFPTH-GAJHUEQPSA-N

Data: 2 IC50  1 EC50

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 = 50301030   

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))	BDBM50301030 (CHEMBL567679 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(ccn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-15-21(11-12-33-24)27(29,30)31)23(14-18-7-9-22(28)10-8-18)20-6-4-5-19(13-20)16-32/h4-13,15,17,23H,14H2,1-3H3,(H,33,35)(H,34,36)/t17-,23+/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	n/a	n/a	1.60	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 recombinant human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 5195-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.046 BindingDB Entry DOI: 10.7270/Q2028RMH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50301030 (CHEMBL567679 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(ccn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-15-21(11-12-33-24)27(29,30)31)23(14-18-7-9-22(28)10-8-18)20-6-4-5-19(13-20)16-32/h4-13,15,17,23H,14H2,1-3H3,(H,33,35)(H,34,36)/t17-,23+/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	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assay				Bioorg Med Chem Lett 19: 5195-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.046 BindingDB Entry DOI: 10.7270/Q2028RMH
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50301030 (CHEMBL567679 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(ccn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-15-21(11-12-33-24)27(29,30)31)23(14-18-7-9-22(28)10-8-18)20-6-4-5-19(13-20)16-32/h4-13,15,17,23H,14H2,1-3H3,(H,33,35)(H,34,36)/t17-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	353	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 recombinant human CB2 receptor expressed in CHO cell				Bioorg Med Chem Lett 19: 5195-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.046 BindingDB Entry DOI: 10.7270/Q2028RMH
					More data for this Ligand-Target Pair