BDBM50190268 4'-methylsulfanyl-biphenyl-4-carboxylic acid methyl-{(S)-1-[(S)-3-(3-phenyl-propylamino)-pyrrolidine-1-carbonyl]-pyrrolidin-3-yl}-amide::CHEMBL213052

SMILES: CSc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1

InChI Key: InChIKey=JMWRJVZSBUSJJK-KYJUHHDHSA-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 = 50190268   

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))	BDBM50190268 (4'-methylsulfanyl-biphenyl-4-carboxylic acid methy...) Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C33H40N4O2S/c1-35(32(38)28-12-10-26(11-13-28)27-14-16-31(40-2)17-15-27)30-19-22-37(24-30)33(39)36-21-18-29(23-36)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,29-30,34H,6,9,18-24H2,1-2H3/t29-,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4450-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.045 BindingDB Entry DOI: 10.7270/Q23J3CKC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50190268 (4'-methylsulfanyl-biphenyl-4-carboxylic acid methy...) Show SMILES CSc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](C1)NCCCc1ccccc1 Show InChI InChI=1S/C33H40N4O2S/c1-35(32(38)28-12-10-26(11-13-28)27-14-16-31(40-2)17-15-27)30-19-22-37(24-30)33(39)36-21-18-29(23-36)34-20-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,29-30,34H,6,9,18-24H2,1-2H3/t29-,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Antagonist activity against human MCHR1 expressed in CHO cells assessed by inhibition of MCH-stimulated G protein-GTPgamma35S binding				Bioorg Med Chem Lett 16: 4450-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.045 BindingDB Entry DOI: 10.7270/Q23J3CKC
					More data for this Ligand-Target Pair