BDBM50418818 CHEMBL1796293

SMILES: O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1

InChI Key: InChIKey=SPHCZZBTYLIKMU-UHFFFAOYSA-N

Data: 1 KI  7 IC50  1 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 9 hits for monomerid = 50418818   

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 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway 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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway 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	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 1-[7-[3-[4-(aminomethyl)-1-piperidyl]propoxy]-6-methoxy-quinazolin-4-yl]-3-(2-chloro-6-methylphenyl)urea from GST-tagged phosphorylat...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	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	>3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate				Bioorg Med Chem Lett 21: 4215-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.075 BindingDB Entry DOI: 10.7270/Q2WH2R89
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway 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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway 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	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38-alpha in human PBMC assessed as inhibition of LPS-induced TNF-alpha production incubated for 30 mins prior to LPS challenge measure...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway 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	600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair