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BDBM50428491 CHEMBL2335198

SMILES: Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=XJOKWEQIZRAUNX-VQIMIIECSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50428491   
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
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50428491
PNG
(CHEMBL2335198)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(O)=O |r,wU:27.29,42.44,(6.91,-18.61,;5.37,-18.45,;4.35,-19.6,;2.94,-18.97,;1.61,-19.74,;.27,-18.97,;.27,-17.43,;-1.07,-19.74,;-2.4,-18.97,;-3.73,-19.74,;-3.73,-21.28,;-2.38,-22.05,;-1.06,-21.28,;3.1,-17.43,;4.61,-17.11,;5.23,-15.7,;6.73,-15.38,;6.89,-13.85,;5.49,-13.23,;4.46,-14.37,;8.22,-13.08,;8.22,-11.54,;9.56,-13.85,;10.89,-13.07,;12.22,-13.85,;12.22,-15.39,;13.56,-13.07,;14.89,-13.85,;14.89,-15.39,;16.23,-16.15,;16.23,-17.69,;17.57,-18.47,;17.57,-20.01,;16.23,-20.78,;18.9,-20.78,;16.23,-13.07,;16.23,-11.53,;17.57,-13.85,;18.9,-13.07,;20.24,-13.85,;20.24,-15.39,;21.57,-13.07,;22.91,-13.85,;22.91,-15.39,;24.24,-16.15,;25.57,-15.39,;24.24,-17.69,;24.24,-13.07,;25.56,-13.84,;24.24,-11.53,)|
Show InChI InChI=1S/C29H35N11O9S/c1-14-23(50-29(35-14)38-24(45)15-6-3-2-4-7-15)17-10-18(40-39-17)26(47)34-12-20(41)36-16(8-5-9-32-28(30)31)25(46)33-13-21(42)37-19(27(48)49)11-22(43)44/h2-4,6-7,10,16,19H,5,8-9,11-13H2,1H3,(H,33,46)(H,34,47)(H,36,41)(H,37,42)(H,39,40)(H,43,44)(H,48,49)(H4,30,31,32)(H,35,38,45)/t16-,19-/m1/s1
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Article
PubMed
n/an/a 1.55E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi...

Bioorg Med Chem Lett 23: 340-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W
More data for this
Ligand-Target Pair