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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATR-interacting protein/Serine/threonine-protein kinase ATR' and Ligand = 'BDBM414012'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM414012
PNG
(US10421765, Example 1 | US10745420, Example 1)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ncnc2CCN(Cc12)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19N5O2S/c1-29(27,28)15-4-2-14(3-5-15)20-17-12-26(11-8-18(17)24-13-25-20)19-7-10-23-21-16(19)6-9-22-21/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...

US Patent US10745420 (2020)


BindingDB Entry DOI: 10.7270/Q24J0J57
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM414012
PNG
(US10421765, Example 1 | US10745420, Example 1)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ncnc2CCN(Cc12)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19N5O2S/c1-29(27,28)15-4-2-14(3-5-15)20-17-12-26(11-8-18(17)24-13-25-20)19-7-10-23-21-16(19)6-9-22-21/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...

US Patent US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair