BindingDB PrimarySearch

BDBM31090 (E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide::(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide::(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide::EKB-569::Pelitinib::cid_6445562

InChI string: InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+

SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=WVUNYSQLFKLYNI-AATRIKPKSA-N

Data: 3 KI 20 IC50 485 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 508 hits for monomerid = 31090
Target (Institution)	Ligand	Target 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
Tyrosine-protein kinase CSK (Homo sapiens (human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for CSK; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005)
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
myosin light chain kinase 2 (Homo sapiens)	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for MYLK2; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005)
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens)	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for PKMYT1; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005)
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
SRC (Homo sapiens (human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for LCK; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005)
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 38-like (Homo sapiens)	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK38L; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005)
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for JAK2 (Kin.Dom. 2); NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005)
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17B (STK17B) (Homo sapiens (Human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Average Binding Constant for STK17B; NA=Not Active at 10 uM				Nat Biotechnol 23: 329-36 (2005)
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair
VEGF-receptor 2 and stem cell growth factor receptor (KDR and KIT) (Homo sapiens (human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars AffyNet	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
University of the Pacific Curated by ChEMBL					Assay Description Binding affinity to human KIT incubated for 1 hr by kinase binding assay				Eur J Med Chem 46: 2043-57 (2011)
University of the Pacific Curated by ChEMBL					More data for this Ligand-Target Pair

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