BDBM50430439 CHEMBL2335067

SMILES: COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1

InChI Key: InChIKey=HWLPUOSBEAGBSQ-XMMPIXPASA-N

Data: 2 Kd

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 = 50430439   

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 10 (Homo sapiens (Human))	BDBM50430439 (CHEMBL2335067) Show SMILES COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r| Show InChI InChI=1S/C31H30N6O2/c1-39-25-12-13-26-27(18-25)37(29(34-26)23-11-8-20-5-2-3-6-22(20)17-23)28-14-15-32-31(35-28)33-24-7-4-16-36(19-24)30(38)21-9-10-21/h2-3,5-6,8,11-15,17-18,21,24H,4,7,9-10,16,19H2,1H3,(H,32,33,35)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...				Bioorg Med Chem 21: 2271-85 (2013) Article DOI: 10.1016/j.bmc.2013.02.021 BindingDB Entry DOI: 10.7270/Q29W0GVC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50430439 (CHEMBL2335067) Show SMILES COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(N[C@@H]4CCCN(C4)C(=O)C4CC4)n3)c2c1 |r| Show InChI InChI=1S/C31H30N6O2/c1-39-25-12-13-26-27(18-25)37(29(34-26)23-11-8-20-5-2-3-6-22(20)17-23)28-14-15-32-31(35-28)33-24-7-4-16-36(19-24)30(38)21-9-10-21/h2-3,5-6,8,11-15,17-18,21,24H,4,7,9-10,16,19H2,1H3,(H,32,33,35)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Binding affinity to JNK3 (unknown origin) by surface plasmon resonance analysis in presence of ATP				Bioorg Med Chem Lett 23: 1639-42 (2013) Article DOI: 10.1016/j.bmcl.2013.01.082 BindingDB Entry DOI: 10.7270/Q2F76DXD
					More data for this Ligand-Target Pair