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BDBM50528417 CHEMBL4445510

SMILES: Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NFCORFXNZAURBM-MEDUHNTESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528417   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50528417
PNG
(CHEMBL4445510)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,wD:21.24,(6.56,-7.47,;6.24,-8.98,;4.83,-9.6,;4.99,-11.13,;6.49,-11.45,;7.12,-12.86,;7.27,-10.12,;8.8,-9.97,;9.83,-11.12,;11.23,-10.49,;11.08,-8.96,;9.57,-8.64,;8.95,-7.23,;12.56,-11.27,;12.56,-12.81,;13.9,-10.5,;15.23,-11.27,;15.23,-12.81,;16.56,-13.59,;17.89,-12.82,;17.9,-11.27,;16.57,-10.51,;16.57,-8.97,;15.24,-8.2,;15.24,-6.66,;16.57,-5.89,;16.57,-4.35,;17.91,-6.65,;19.24,-5.88,;17.91,-8.2,)|
Show InChI InChI=1S/C20H18Cl4N4O2/c1-28-18(15(23)8-26-28)12-7-17(30-19(12)24)20(29)27-16-9-25-5-4-11(16)10-2-3-13(21)14(22)6-10/h2-3,6-8,11,16,25H,4-5,9H2,1H3,(H,27,29)/t11-,16+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay

J Med Chem 62: 7264-7288 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00891
More data for this
Ligand-Target Pair