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SMILES: C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)C1=CCNCC1

InChI Key: InChIKey=FEQIJBIKXCHEFP-UHFFFAOYSA-N

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 = 267985   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267985
PNG
(2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-4-(1,2,3,6-...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)C1=CCNCC1 |t:32|
Show InChI InChI=1S/C25H30N6O2/c1-2-14-33-23(3-1)31-21(7-11-28-31)25-24-19(6-10-27-25)20(18-4-8-26-9-5-18)17-22(29-24)30-12-15-32-16-13-30/h4,6-7,10-11,17,23,26H,1-3,5,8-9,12-16H2
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 117n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM267985
PNG
(2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-4-(1,2,3,6-...)
Show SMILES C1CCC(OC1)n1nccc1-c1nccc2c(cc(nc12)N1CCOCC1)C1=CCNCC1 |t:32|
Show InChI InChI=1S/C25H30N6O2/c1-2-14-33-23(3-1)31-21(7-11-28-31)25-24-19(6-10-27-25)20(18-4-8-26-9-5-18)17-22(29-24)30-12-15-32-16-13-30/h4,6-7,10-11,17,23,26H,1-3,5,8-9,12-16H2
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 185n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...


US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair