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BDBM35967 cyclic compound, 15b

SMILES: [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCOc2cc(OC)ccc2S1(=O)=O

InChI Key: InChIKey=JNIHRKHVDUSRFC-GKKCRNPISA-N

Data: 1 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 35967   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM35967
PNG
(cyclic compound, 15b)
Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
Show InChI InChI=1S/C33H46N2O9S/c1-40-25-14-15-31-29(21-25)41-18-11-6-4-2-3-5-10-17-35(45(31,38)39)22-28(36)27(20-24-12-8-7-9-13-24)34-33(37)44-30-23-43-32-26(30)16-19-42-32/h7-9,12-15,21,26-28,30,32,36H,2-6,10-11,16-20,22-23H2,1H3,(H,34,37)/t26-,27-,28+,30-,32+/m0/s1
PDB
MMDB

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PC cid
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UniChem

Similars
Article
PubMed
 0.670 -12.5n/an/a 49n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...

J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair