BindingDB PrimarySearch

null

SMILES: CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

InChI Key: InChIKey=MRTHXFZEQBERDI-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50452149
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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of EphB4 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of EphA4 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Lyn (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Kit (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair