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SMILES: C[C@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=GPOFFPKHCADYGY-NSHDSACASA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50251197   
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 PAK 4


(Homo sapiens (Human))
BDBM50251197
PNG
(CHEMBL4063425)
Show SMILES C[C@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))
BDBM50251197
PNG
(CHEMBL4063425)
Show SMILES C[C@H]1CNCCN1C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1 |r|
Show InChI InChI=1S/C20H22ClN7O/c1-11-10-22-6-7-28(11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
383n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP...


J Med Chem 61: 265-285 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01342
BindingDB Entry DOI: 10.7270/Q2BK1FSN
More data for this
Ligand-Target Pair