BDBM420836 US10479784, Compound IA-338::US10961232, Compound IA-338

SMILES: CCC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1F

InChI Key: InChIKey=DVBOZLRMZJJJAF-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 420836   

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 ATR (Homo sapiens (Human))	BDBM420836 (US10479784, Compound IA-338 | US10961232, Compound...) Show SMILES CCC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1F Show InChI InChI=1S/C24H25FN6O2S/c1-4-14(2)34(32)17-8-6-16(7-9-17)20-13-28-22(26)21(29-20)24-31-30-23(33-24)18-10-5-15(12-27-3)11-19(18)25/h5-11,13-14,27H,4,12H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10961232 (2021)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420836 (US10479784, Compound IA-338 | US10961232, Compound...) Show SMILES CCC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1F Show InChI InChI=1S/C24H25FN6O2S/c1-4-14(2)34(32)17-8-6-16(7-9-17)20-13-28-22(26)21(29-20)24-31-30-23(33-24)18-10-5-15(12-27-3)11-19(18)25/h5-11,13-14,27H,4,12H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair