BDBM50190918 CHEMBL215067::N-((S)-1-((R)-3-(4,4-dimethylcyclohexylamino)pyrrolidine-1-carbonyl)pyrrolidin-3-yl)-N-methyl-5-(4-(trifluoromethyl)phenyl)thiophene-2-carboxamide

SMILES: CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PUSSNOHHCKDXMM-RPWUZVMVSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50190918   

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
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50190918 (CHEMBL215067 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...) Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H39F3N4O2S/c1-29(2)14-10-22(11-15-29)34-23-12-16-36(18-23)28(39)37-17-13-24(19-37)35(3)27(38)26-9-8-25(40-26)20-4-6-21(7-5-20)30(31,32)33/h4-9,22-24,34H,10-19H2,1-3H3/t23-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity to MCHR1 by competitive binding assay				Bioorg Med Chem Lett 16: 4922-30 (2006) Article DOI: 10.1016/j.bmcl.2006.06.049 BindingDB Entry DOI: 10.7270/Q2TM7BX5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50190918 (CHEMBL215067 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...) Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H39F3N4O2S/c1-29(2)14-10-22(11-15-29)34-23-12-16-36(18-23)28(39)37-17-13-24(19-37)35(3)27(38)26-9-8-25(40-26)20-4-6-21(7-5-20)30(31,32)33/h4-9,22-24,34H,10-19H2,1-3H3/t23-,24+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 16: 4922-30 (2006) Article DOI: 10.1016/j.bmcl.2006.06.049 BindingDB Entry DOI: 10.7270/Q2TM7BX5
					More data for this Ligand-Target Pair