BindingDB PrimarySearch

BDBM25980 BMCL18324 Compound 3::CHEMBL270164::N-(3-cyanophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide::biphenyl amide, 3

SMILES: Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N

InChI Key: InChIKey=PMMLSQFPBFKLHH-UHFFFAOYSA-N

Data: 6 KI 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 25980
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 \| CHEMBL270164 \| N-(3-cyanoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	240	-8.93	1.50E+3	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...				Bioorg Med Chem Lett 18: 318-23 (2008) Article DOI: 10.1016/j.bmcl.2007.10.076 BindingDB Entry DOI: 10.7270/Q2KP80G3
GSK					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 \| CHEMBL270164 \| N-(3-cyanoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	240	-8.93	1.50E+3	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...				Bioorg Med Chem Lett 18: 324-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.043 BindingDB Entry DOI: 10.7270/Q2FX77RC
GSK					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 \| CHEMBL270164 \| N-(3-cyanoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...				Bioorg Med Chem Lett 18: 4433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.028 BindingDB Entry DOI: 10.7270/Q2JH3M0B
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 \| CHEMBL270164 \| N-(3-cyanoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 \| CHEMBL270164 \| N-(3-cyanoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	>4.00E+3	>-7.28	>1.60E+4	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...				Bioorg Med Chem Lett 18: 318-23 (2008) Article DOI: 10.1016/j.bmcl.2007.10.076 BindingDB Entry DOI: 10.7270/Q2KP80G3
GSK					More data for this Ligand-Target Pair
Lck (Mus musculus)	BDBM25980 (BMCL18324 Compound 3 \| CHEMBL270164 \| N-(3-cyanoph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	>5.40E+3	>-7.11	>1.60E+4	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...				Bioorg Med Chem Lett 18: 318-23 (2008) Article DOI: 10.1016/j.bmcl.2007.10.076 BindingDB Entry DOI: 10.7270/Q2KP80G3
GSK					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 \| CHEMBL270164 \| N-(3-cyanoph...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)