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SMILES: CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=VIRGBRQFVJELSV-UHFFFAOYSA-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 = 50251177   
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))		BDBM50251177
PNG
(CHEMBL4090268)
Show SMILES CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H24ClN7O/c1-11-9-29(10-12(2)23-11)21(30)20-24-16-6-5-14(22)7-15(16)19(26-20)25-18-8-17(27-28-18)13-3-4-13/h5-8,11-13,23H,3-4,9-10H2,1-2H3,(H2,24,25,26,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 114n/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))		BDBM50251177
PNG
(CHEMBL4090268)
Show SMILES CC1CN(CC(C)N1)C(=O)c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H24ClN7O/c1-11-9-29(10-12(2)23-11)21(30)20-24-16-6-5-14(22)7-15(16)19(26-20)25-18-8-17(27-28-18)13-3-4-13/h5-8,11-13,23H,3-4,9-10H2,1-2H3,(H2,24,25,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>4.52E+3n/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