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SMILES: COc1cccc(c1)-c1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12

InChI Key: InChIKey=DOYLRRXQCZFMEN-QQGWDPLKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50082396   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50082396
PNG
((4R,5S,6S,7R)-1-(3-Amino-benzyl)-4,7-dibenzyl-5,6-...)
Show SMILES COc1cccc(c1)-c1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12
Show InChI InChI=1S/C41H41N5O4/c1-50-33-17-9-15-31(24-33)38-34-21-30(18-19-35(34)43-44-38)26-46-37(23-28-12-6-3-7-13-28)40(48)39(47)36(22-27-10-4-2-5-11-27)45(41(46)49)25-29-14-8-16-32(42)20-29/h2-21,24,36-37,39-40,47-48H,22-23,25-26,42H2,1H3,(H,43,44)/t36-,37-,39+,40+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
 0.240n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for HIV -1 Protease

Bioorg Med Chem Lett 9: 3217-20 (1999)


BindingDB Entry DOI: 10.7270/Q2B27TG8
More data for this
Ligand-Target Pair