BDBM29896 1,7-naphthyridine-3-carbonitrile, 1::CHEMBL197538

SMILES: Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl

InChI Key: InChIKey=IXQLEZDNYJWUTR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 29896   

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 8 (Homo sapiens (Human))	BDBM29896 (1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538) Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ...				Bioorg Med Chem Lett 19: 3485-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.009 BindingDB Entry DOI: 10.7270/Q2HT2MN8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM29896 (1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538) Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation				Bioorg Med Chem Lett 15: 5288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.08.029 BindingDB Entry DOI: 10.7270/Q2JS9Q0M
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM29896 (1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538) Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Tpl2 kinase by ELISA				Bioorg Med Chem Lett 16: 6067-72 (2006) Article DOI: 10.1016/j.bmcl.2006.08.102 BindingDB Entry DOI: 10.7270/Q2W958TR
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM29896 (1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538) Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MEK				Bioorg Med Chem Lett 15: 5288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.08.029 BindingDB Entry DOI: 10.7270/Q2JS9Q0M
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM29896 (1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538) Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)	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	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MK2				Bioorg Med Chem Lett 15: 5288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.08.029 BindingDB Entry DOI: 10.7270/Q2JS9Q0M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM29896 (1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538) Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against Src				Bioorg Med Chem Lett 15: 5288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.08.029 BindingDB Entry DOI: 10.7270/Q2JS9Q0M
					More data for this Ligand-Target Pair