BindingDB PrimarySearch

BDBM50318884 CHEMBL1084546::CHEMBL2430359::N-methyl-N-(3-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)pyridin-2-yl)methanesulfonamide::N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide::PF-562271

SMILES: CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=MZDKLVOWGIOKTN-UHFFFAOYSA-N

Data: 1 KI 11 IC50 1 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50318884
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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes				J Med Chem 55: 4896-933 (2012) Article DOI: 10.1021/jm300065h BindingDB Entry DOI: 10.7270/Q2PG1SVR
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of FAK				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PTK2 (unknown origin)				J Med Chem 56: 6991-7002 (2013) Article DOI: 10.1021/jm400798j BindingDB Entry DOI: 10.7270/Q2G44RQC
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Pyk2 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-013-0768-0 BindingDB Entry DOI: 10.7270/Q2XW4M8H
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of FAK kinase domain (amino acid 410-689) (unknown origin) assessed as inhibition of Phosphorylation of p(Glu/Tyr) by spectroph...				Citation and Details Article DOI: 10.1007/s00044-013-0768-0 BindingDB Entry DOI: 10.7270/Q2XW4M8H
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant FAK (410 to 689 residues) (unknown origin) using Poly (4:1 Glu, Tyr) peptide as substrate enzyme pretreated with substrate ...				Eur J Med Chem 177: 32-46 (2019) Article DOI: 10.1016/j.ejmech.2019.05.048
Peking University Health Science Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Reversible/competitive inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infec...				Bioorg Med Chem Lett 26: 5926-5930 (2016) Article DOI: 10.1016/j.bmcl.2016.10.092 BindingDB Entry DOI: 10.7270/Q2ST7RTJ
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells				Bioorg Med Chem Lett 26: 5926-5930 (2016) Article DOI: 10.1016/j.bmcl.2016.10.092 BindingDB Entry DOI: 10.7270/Q2ST7RTJ
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Reversible inhibition of NH2-terminal 6His-tagged FAK catalytic domain (410 to 689 residues) (unknown origin) expressed in Sf9 insect cells using p(G...				Eur J Med Chem 134: 159-184 (2017) Article DOI: 10.1016/j.ejmech.2017.04.003 BindingDB Entry DOI: 10.7270/Q23X88SH
Punjabi University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Reversible inhibition of PYK2 (unknown origin)				Eur J Med Chem 134: 159-184 (2017) Article DOI: 10.1016/j.ejmech.2017.04.003 BindingDB Entry DOI: 10.7270/Q23X88SH
Punjabi University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
BCoR-BCL6 (Homo sapiens)	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...				J Med Chem 60: 4358-4368 (2017) Article DOI: 10.1021/acs.jmedchem.7b00313 BindingDB Entry DOI: 10.7270/Q2VM4FQW
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of PYK2				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 \| CHEMBL2430359 \| N-methyl-N-(3-((2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Competitive binding affinity to FAK kinase domain (410 to 689) (unknown origin) assessed as phosphorylation of p(Glu/Tyr) in presence of ATP				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)