BDBM50258599 CHEMBL4070968

SMILES: COc1cccc(c1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1

InChI Key: InChIKey=VKSVJQOJUSUALE-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50258599   

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
Serine/threonine-protein kinase WNK1 (Homo sapiens (Human))	BDBM50258599 (CHEMBL4070968) Show SMILES COc1cccc(c1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 Show InChI InChI=1S/C28H27N3O2/c1-33-23-11-7-10-22(18-23)27-19-25(24-12-5-6-13-26(24)29-27)28(32)31-16-14-30(15-17-31)20-21-8-3-2-4-9-21/h2-13,18-19H,14-17,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	623	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research, Inc. , Cambridge, Massachusetts 02139-4133, United States. Curated by ChEMBL					Assay Description Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 ph...				J Med Chem 60: 7099-7107 (2017) Article DOI: 10.1021/acs.jmedchem.7b00708 BindingDB Entry DOI: 10.7270/Q29W0HXP
					More data for this Ligand-Target Pair