BDBM14815 InterBioScreen compound 2::N-(3-aminopropyl)-5-chloro-3,6-difluoro-4-(9H-thioxanthen-9-yl)pyridin-2-amine

SMILES: NCCCNc1nc(F)c(Cl)c(C2c3ccccc3Sc3ccccc23)c1F

InChI Key: InChIKey=WOJJEUPOWXPWHN-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 14815   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14815 (InterBioScreen compound 2 | N-(3-aminopropyl)-5-ch...) Show SMILES NCCCNc1nc(F)c(Cl)c(C2c3ccccc3Sc3ccccc23)c1F Show InChI InChI=1S/C21H18ClF2N3S/c22-18-17(19(23)21(27-20(18)24)26-11-5-10-25)16-12-6-1-3-8-14(12)28-15-9-4-2-7-13(15)16/h1-4,6-9,16H,5,10-11,25H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair