BDBM50320478 CHEMBL1164523::N-((S)-1-((S)-1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-ylamino)-3-methyl-1-oxobutan-2-yl)benzo[b]thiophene-2-carboxamide

SMILES: CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1

InChI Key: InChIKey=SEZGALPGIRIHAV-CUBQBAPOSA-N

Data: 2 KI

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 = 50320478   

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
Urotensin II receptor (Homo sapiens (Human))	BDBM50320478 (CHEMBL1164523 | N-((S)-1-((S)-1-(4-(3-(dimethylami...) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 |r| Show InChI InChI=1S/C30H40N4O3S/c1-21(2)28(32-29(35)27-18-23-8-5-6-9-26(23)38-27)30(36)31-24-14-16-34(20-24)19-22-10-12-25(13-11-22)37-17-7-15-33(3)4/h5-6,8-13,18,21,24,28H,7,14-17,19-20H2,1-4H3,(H,31,36)(H,32,35)/t24-,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human urotensin 2 receptor				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
					More data for this Ligand-Target Pair
UTS2R (RAT)	BDBM50320478 (CHEMBL1164523 | N-((S)-1-((S)-1-(4-(3-(dimethylami...) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 |r| Show InChI InChI=1S/C30H40N4O3S/c1-21(2)28(32-29(35)27-18-23-8-5-6-9-26(23)38-27)30(36)31-24-14-16-34(20-24)19-22-10-12-25(13-11-22)37-17-7-15-33(3)4/h5-6,8-13,18,21,24,28H,7,14-17,19-20H2,1-4H3,(H,31,36)(H,32,35)/t24-,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization at 1000 nM by FLIPR				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
					More data for this Ligand-Target Pair