BDBM209862 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid::MK-5108

SMILES: OC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F

InChI Key: InChIKey=LCVIRAZGMYMNNT-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 209862   

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
Ephrin type-A receptor 2 [596-900] (Homo sapiens (Human))	BDBM209862 (4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-...) Show SMILES OC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F |(6.1,3.85,;7.64,3.85,;8.41,5.18,;8.41,2.52,;9.18,3.85,;10.72,3.85,;11.49,5.18,;13.03,5.18,;13.8,3.85,;13.03,2.52,;13.8,1.18,;15.35,1.18,;16.25,-.06,;17.71,.41,;17.71,1.95,;16.25,2.43,;11.49,2.52,;7.08,1.75,;7.08,.21,;8.41,-.56,;9.75,.21,;9.75,1.75,;8.41,-2.1,;7.08,-2.87,;7.08,-4.41,;5.75,-5.18,;4.41,-4.41,;4.41,-2.87,;3.08,-2.1,;5.75,-2.1,;5.75,-.56,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...				ACS Chem Biol 11: 3400-3411 (2016) Article DOI: 10.1021/acschembio.6b00709 BindingDB Entry DOI: 10.7270/Q2TD9W5M
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