BDBM128416 US8802695, 33

SMILES: CCn1cc(Cl)c2cnc(NC(=O)c3ccc(c(C)c3)[C@@](C)(O)CO)cc12

InChI Key: InChIKey=YNCUMYDOPLRRHQ-FQEVSTJZSA-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 = 128416   

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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM128416 (US8802695, 33) Show SMILES CCn1cc(Cl)c2cnc(NC(=O)c3ccc(c(C)c3)[C@@](C)(O)CO)cc12 |r| Show InChI InChI=1S/C20H22ClN3O3/c1-4-24-10-16(21)14-9-22-18(8-17(14)24)23-19(26)13-5-6-15(12(2)7-13)20(3,27)11-25/h5-10,25,27H,4,11H2,1-3H3,(H,22,23,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	7.3	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...				US Patent US8802695 (2014) BindingDB Entry DOI: 10.7270/Q27W69WD
					More data for this Ligand-Target Pair