BDBM86638

SMILES: O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12

InChI Key: InChIKey=WQGDQGAFSDMBLA-UHFFFAOYSA-N

Data: 16 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 16 hits for monomerid = 86638   

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))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.				Chem Biol 19: 140-54 (2012) Article DOI: 10.1016/j.chembiol.2011.11.010 BindingDB Entry DOI: 10.7270/Q2K35S8X
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human truncated JNK3				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant full length JNK1alpha1				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of VegFr2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of mitogen-activated protein kinase p38alpha				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of cFms				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of PLK1				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Alk5				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Src				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Tie2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM86638 Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.				Chem Biol 19: 140-54 (2012) Article DOI: 10.1016/j.chembiol.2011.11.010 BindingDB Entry DOI: 10.7270/Q2K35S8X
					More data for this Ligand-Target Pair