BDBM50258546 CHEMBL4087727

SMILES: COc1cccc(c1)-c1cccc(c1)-n1cc(CNCC2CCCCC2)c2ccccc12

InChI Key: InChIKey=GEQDTPHGUQIIBC-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 = 50258546   

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))	BDBM50258546 (CHEMBL4087727) Show SMILES COc1cccc(c1)-c1cccc(c1)-n1cc(CNCC2CCCCC2)c2ccccc12 Show InChI InChI=1S/C29H32N2O/c1-32-27-14-8-12-24(18-27)23-11-7-13-26(17-23)31-21-25(28-15-5-6-16-29(28)31)20-30-19-22-9-3-2-4-10-22/h5-8,11-18,21-22,30H,2-4,9-10,19-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	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 Non-competitive inhibition of recombinant human N-terminal GST-tagged WNK1 (1 to 491 residues) expressed in baculovirus expression system using fluor...				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
Serine/threonine-protein kinase WNK1 (Homo sapiens (Human))	BDBM50258546 (CHEMBL4087727) Show SMILES COc1cccc(c1)-c1cccc(c1)-n1cc(CNCC2CCCCC2)c2ccccc12 Show InChI InChI=1S/C29H32N2O/c1-32-27-14-8-12-24(18-27)23-11-7-13-26(17-23)31-21-25(28-15-5-6-16-29(28)31)20-30-19-22-9-3-2-4-10-22/h5-8,11-18,21-22,30H,2-4,9-10,19-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	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