BDBM323401 US9630956, Compound I-138::US9630956, Compound I-139

SMILES: CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N

InChI Key: InChIKey=SOEOCSLYOUMPHP-MRXNPFEDSA-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 = 323401   

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))	BDBM323401 (US9630956, Compound I-138 | US9630956, Compound I-...) Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N |r| Show InChI InChI=1S/C26H27N7O2/c1-4-26(5-2,15-27)33-14-19(9-10-23(33)34)21-13-30-25(29)24(31-21)22-12-20(32-35-22)18-8-6-7-17(11-18)16(3)28/h6-14,16H,4-5,28H2,1-3H3,(H2,29,30)/t16-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323401 (US9630956, Compound I-138 | US9630956, Compound I-...) Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N |r| Show InChI InChI=1S/C26H27N7O2/c1-4-26(5-2,15-27)33-14-19(9-10-23(33)34)21-13-30-25(29)24(31-21)22-12-20(32-35-22)18-8-6-7-17(11-18)16(3)28/h6-14,16H,4-5,28H2,1-3H3,(H2,29,30)/t16-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair