BDBM420879 US10479784, Compound III-7::US10961232, Compound III-7

SMILES: Cc1cccc2nc([nH]c12)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1

InChI Key: InChIKey=JRCZDOCDOXNXGP-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 = 420879   

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))	BDBM420879 (US10479784, Compound III-7 | US10961232, Compound ...) Show SMILES Cc1cccc2nc([nH]c12)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H25N7O/c1-15-4-2-5-18-20(15)30-23(29-18)21-22(25)27-14-19(28-21)16-6-8-17(9-7-16)24(32)31-12-3-10-26-11-13-31/h2,4-9,14,26H,3,10-13H2,1H3,(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))	BDBM420879 (US10479784, Compound III-7 | US10961232, Compound ...) Show SMILES Cc1cccc2nc([nH]c12)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H25N7O/c1-15-4-2-5-18-20(15)30-23(29-18)21-22(25)27-14-19(28-21)16-6-8-17(9-7-16)24(32)31-12-3-10-26-11-13-31/h2,4-9,14,26H,3,10-13H2,1H3,(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