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SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)C(=O)c1cc2ccccc2oc1=O

InChI Key: InChIKey=WVOSVUDMDYDQMC-KMCBLFQRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037537   
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)		BDBM50037537
PNG
((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)C(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C40H46N4O7/c1-40(2,3)42-37(48)32-24-44(38(49)31-21-27-14-8-10-16-34(27)51-39(31)50)18-17-43(32)23-29(45)20-28(19-25-11-5-4-6-12-25)36(47)41-35-30-15-9-7-13-26(30)22-33(35)46/h4-16,21,28-29,32-33,35,45-46H,17-20,22-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,29+,32+,33-,35?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of HIV protease

J Med Chem 37: 3443-51 (1994)


BindingDB Entry DOI: 10.7270/Q24J0D5K
More data for this
Ligand-Target Pair