BDBM50023730 CHEMBL3330167

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1

InChI Key: InChIKey=XBKNNPZVSZKDRB-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50023730   

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
Apoptosis Signal-regulating Kinase 1 (ASK1) (Homo sapiens (Human))	BDBM50023730 (CHEMBL3330167) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)17-7-4-14(5-8-17)20(27)25-18-13-26-12-15(6-9-19(26)24-18)16-10-22-23-11-16/h4-13H,1-3H3,(H,22,23)(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)