BDBM50190943 5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-((S)-1-((R)-3-(4,4-dimethylcyclohexylamino)pyrrolidine-1-carbonyl)pyrrolidin-3-yl)-N-methylthiophene-2-carboxamide::CHEMBL384622

SMILES: CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc2OCCOc2c1

InChI Key: InChIKey=OWBWZSMKDNGWIL-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 = 50190943   

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))	BDBM50190943 (5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-((S)-1-(...) Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H42N4O4S/c1-31(2)12-8-22(9-13-31)32-23-10-14-34(19-23)30(37)35-15-11-24(20-35)33(3)29(36)28-7-6-27(40-28)21-4-5-25-26(18-21)39-17-16-38-25/h4-7,18,22-24,32H,8-17,19-20H2,1-3H3/t23-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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))	BDBM50190943 (5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-((S)-1-(...) Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H42N4O4S/c1-31(2)12-8-22(9-13-31)32-23-10-14-34(19-23)30(37)35-15-11-24(20-35)33(3)29(36)28-7-6-27(40-28)21-4-5-25-26(18-21)39-17-16-38-25/h4-7,18,22-24,32H,8-17,19-20H2,1-3H3/t23-,24+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	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