BDBM50194566 CHEMBL218639::N'-[3-(4-isopropyl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carbonyl]-N-phenyl-hydrazinecarboxylic acid methyl ester

SMILES: COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1

InChI Key: InChIKey=HJXINJBZYGSKKL-UHFFFAOYSA-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 = 50194566   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50194566 (CHEMBL218639 | N'-[3-(4-isopropyl-piperazin-1-ylme...) Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H35N5O3/c1-23(2)36-20-18-35(19-21-36)22-27-29(31(38)34-37(32(39)40-3)25-14-8-5-9-15-25)26-16-10-11-17-28(26)33-30(27)24-12-6-4-7-13-24/h4-17,23H,18-22H2,1-3H3,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 5752-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50194566 (CHEMBL218639 | N'-[3-(4-isopropyl-piperazin-1-ylme...) Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H35N5O3/c1-23(2)36-20-18-35(19-21-36)22-27-29(31(38)34-37(32(39)40-3)25-14-8-5-9-15-25)26-16-10-11-17-28(26)33-30(27)24-12-6-4-7-13-24/h4-17,23H,18-22H2,1-3H3,(H,34,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 5752-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.085 BindingDB Entry DOI: 10.7270/Q2TD9X0S
					More data for this Ligand-Target Pair