BDBM50320811 CHEMBL1163896::N-{4-[3-(beta-Alanylamino)phenyl]-6-(4-chloro-2-hydroxyphenyl)-3-cyanopyridin-2-yl}thiophene-2-carboxamide

SMILES: NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(Cl)cc1O

InChI Key: InChIKey=WUTJMDIUPJLCEZ-UHFFFAOYSA-N

Data: 2 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 = 50320811   

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
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50320811 (CHEMBL1163896 | N-{4-[3-(beta-Alanylamino)phenyl]-...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(Cl)cc1O Show InChI InChI=1S/C26H20ClN5O3S/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human GPR54 receptor expressed in CHO cells assessed as inhibition of metastin(40-54)-induced intracellular calcium mobilizati...				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50320811 (CHEMBL1163896 | N-{4-[3-(beta-Alanylamino)phenyl]-...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(Cl)cc1O Show InChI InChI=1S/C26H20ClN5O3S/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair