BDBM25191 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde::7-substituted 4-anilinoquinoline, 31::BMCL174363 Compound 1::BMCL18318 Compound 1

SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1

InChI Key InChIKey=VKQPTVJDZIILPG-UHFFFAOYSA-N

Data  3 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 25191   

LigandPNGBDBM25191(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
Affinity DataKi:  20nM ΔG°:  -10.4kcal/mole IC50: 59nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
GSK

LigandPNGBDBM25191(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
Affinity DataKi:  400nM ΔG°:  -8.63kcal/mole IC50: 2.50E+3nMpH: 7.5 T: 2°CAssay Description:Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 10(Homo sapiens (Human))
GSK

LigandPNGBDBM25191(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
Affinity DataKi: >4.00E+3nM ΔG°: >-7.28kcal/mole IC50: 1.60E+4nMpH: 7.5 T: 2°CAssay Description:Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM25191(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
Affinity DataIC50: 25nMpH: 7.4 T: 2°CAssay Description:The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...More data for this Ligand-Target Pair
LigandPNGBDBM25191(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
Affinity DataIC50: 59nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair