BDBM50316148 CK-2017357::TIRASEMTIV::Tirasemtiv

SMILES: CCC(CC)n1c(O)nc2ncc(nc12)C#C

InChI Key: InChIKey=RSQGZEAXODVTOL-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 = 50316148   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50316148 (CK-2017357 | TIRASEMTIV | Tirasemtiv) Show SMILES CCC(CC)n1c(O)nc2ncc(nc12)C#C Show InChI InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cytokinetics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADP				ACS Med Chem Lett 9: 354-358 (2018) Article DOI: 10.1021/acsmedchemlett.7b00546 BindingDB Entry DOI: 10.7270/Q2WH2SJ9
					More data for this Ligand-Target Pair