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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 91915   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91915
PNG
(Chk1_49)
Show SMILES OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O3/c18-10-1-4-15(26-13-3-2-12(24)6-13)14(5-10)22-17(25)23-16-9-20-11(7-19)8-21-16/h1,4-5,8-9,12-13,24H,2-3,6H2,(H2,21,22,23,25)
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PubMed
6n/an/an/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91915
PNG
(Chk1_49)
Show SMILES OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O3/c18-10-1-4-15(26-13-3-2-12(24)6-13)14(5-10)22-17(25)23-16-9-20-11(7-19)8-21-16/h1,4-5,8-9,12-13,24H,2-3,6H2,(H2,21,22,23,25)
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Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1 [2-280]


(Homo sapiens (Human))
BDBM91915
PNG
(Chk1_49)
Show SMILES OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O3/c18-10-1-4-15(26-13-3-2-12(24)6-13)14(5-10)22-17(25)23-16-9-20-11(7-19)8-21-16/h1,4-5,8-9,12-13,24H,2-3,6H2,(H2,21,22,23,25)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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D3R
6.67n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair