BDBM100502 US8501732, I-62

SMILES: CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O

InChI Key: InChIKey=JBXYALPFRAVEPM-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100502   

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 8 (Homo sapiens (Human))	BDBM100502 (US8501732, I-62) Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |THB:5:7:12.13:10,14:13:7.8:10| Show InChI InChI=1S/C32H32ClN5O4/c1-32(2,3)42-31(41)38-19-24-14-25(38)18-37(24)28-12-9-20(15-34-28)30(40)35-16-21-17-36(23-7-5-4-6-8-23)27-13-22(33)10-11-26(27)29(21)39/h4-13,15,17,24-25H,14,16,18-19H2,1-3H3,(H,35,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description In vitro JNK1 assay.				US Patent US8501732 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SP9
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