BDBM420883 US10479784, Compound III-11::US10961232, Compound III-11

SMILES: COc1ccc2nc([nH]c2c1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1

InChI Key: InChIKey=DEKSJKLWLGNENZ-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 = 420883   

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))	BDBM420883 (US10479784, Compound III-11 | US10961232, Compound...) Show SMILES COc1ccc2nc([nH]c2c1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H25N7O2/c1-33-17-7-8-18-19(13-17)30-23(29-18)21-22(25)27-14-20(28-21)15-3-5-16(6-4-15)24(32)31-11-2-9-26-10-12-31/h3-8,13-14,26H,2,9-12H2,1H3,(H2,25,27)(H,29,30)	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))	BDBM420883 (US10479784, Compound III-11 | US10961232, Compound...) Show SMILES COc1ccc2nc([nH]c2c1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H25N7O2/c1-33-17-7-8-18-19(13-17)30-23(29-18)21-22(25)27-14-20(28-21)15-3-5-16(6-4-15)24(32)31-11-2-9-26-10-12-31/h3-8,13-14,26H,2,9-12H2,1H3,(H2,25,27)(H,29,30)	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