BDBM420503 US10479784, Compound IA-18::US10961232, Compound IA-18

SMILES: CCC1CN(CCN1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1

InChI Key: InChIKey=CDZBDHNRQAKCJB-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 = 420503   

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))	BDBM420503 (US10479784, Compound IA-18 | US10961232, Compound ...) Show SMILES CCC1CN(CCN1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H25N7O2/c1-2-19-15-32(13-12-27-19)25(33)18-10-8-16(9-11-18)20-14-28-22(26)21(29-20)24-31-30-23(34-24)17-6-4-3-5-7-17/h3-11,14,19,27H,2,12-13,15H2,1H3,(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))	BDBM420503 (US10479784, Compound IA-18 | US10961232, Compound ...) Show SMILES CCC1CN(CCN1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H25N7O2/c1-2-19-15-32(13-12-27-19)25(33)18-10-8-16(9-11-18)20-14-28-22(26)21(29-20)24-31-30-23(34-24)17-6-4-3-5-7-17/h3-11,14,19,27H,2,12-13,15H2,1H3,(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