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 or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 25191   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lck (Mus musculus)	BDBM25191 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	20	-10.4	59	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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25191 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	400	-8.63	2.50E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM25191 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	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
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM25191 (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)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay 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...				Bioorg Med Chem Lett 17: 5886-93 (2007) Article DOI: 10.1016/j.bmcl.2007.07.104 BindingDB Entry DOI: 10.7270/Q2H1309S
					More data for this Ligand-Target Pair
Lck (Mus musculus)	BDBM25191 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	59	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 17: 4363-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.029 BindingDB Entry DOI: 10.7270/Q21R6NTD
					More data for this Ligand-Target Pair