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SMILES: CC(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)C(C)C)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)cc1

InChI Key: InChIKey=VWHDFJUUEYKFKE-RNATXAOGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50080114   
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)		BDBM50080114
PNG
((4R,5S,6S,7R)-1,3-Bis-(3-amino-1H-indazol-5-ylmeth...)
Show SMILES CC(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)C(C)C)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)cc1
Show InChI InChI=1S/C41H48N8O3/c1-23(2)29-11-5-25(6-12-29)19-35-37(50)38(51)36(20-26-7-13-30(14-8-26)24(3)4)49(22-28-10-16-34-32(18-28)40(43)47-45-34)41(52)48(35)21-27-9-15-33-31(17-27)39(42)46-44-33/h5-18,23-24,35-38,50-51H,19-22H2,1-4H3,(H3,42,44,46)(H3,43,45,47)/t35-,36-,37+,38+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.190n/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