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SMILES: Cc1ccc(C)c(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(C)ccc3C)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)c1

InChI Key: InChIKey=ILUZTGNKABEPFV-NWJWHWDBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50080108   
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)		BDBM50080108
PNG
((4R,5S,6S,7R)-1,3-Bis-(3-amino-1H-indazol-5-ylmeth...)
Show SMILES Cc1ccc(C)c(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(C)ccc3C)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)c1
Show InChI InChI=1S/C39H44N8O3/c1-21-5-7-23(3)27(13-21)17-33-35(48)36(49)34(18-28-14-22(2)6-8-24(28)4)47(20-26-10-12-32-30(16-26)38(41)45-43-32)39(50)46(33)19-25-9-11-31-29(15-25)37(40)44-42-31/h5-16,33-36,48-49H,17-20H2,1-4H3,(H3,40,42,44)(H3,41,43,45)/t33-,34-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.0340n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for HIV protease

Bioorg Med Chem Lett 9: 2259-62 (1999)


BindingDB Entry DOI: 10.7270/Q20864H1
More data for this
Ligand-Target Pair