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SMILES: CC(C)C[C@@](C)(COc1cnc(cc1Cl)-c1ccnc2ccc(F)cc12)NC(=O)OC(C)(C)C

InChI Key: InChIKey=JUSKTTQYHPHBQN-SANMLTNESA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 493277   
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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM493277
PNG
((S)-1-((4-chloro-6-(6-fluoroquinolin-4-yl)pyridin-...)
Show SMILES CC(C)C[C@@](C)(COc1cnc(cc1Cl)-c1ccnc2ccc(F)cc12)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C26H31ClFN3O3/c1-16(2)13-26(6,31-24(32)34-25(3,4)5)15-33-23-14-30-22(12-20(23)27)18-9-10-29-21-8-7-17(28)11-19(18)21/h7-12,14,16H,13,15H2,1-6H3,(H,31,32)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.360n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10981910 (2021)

More data for this
Ligand-Target Pair