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SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(NCc3nc4ccccc4s3)c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=UGMGBADCLGQMSF-HFHXALQXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065093   
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)		BDBM50065093
PNG
((4R,5S,6S,7R)-1-{3-[(Benzothiazol-2-ylmethyl)-amin...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(NCc3nc4ccccc4s3)c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C42H40N6O3S/c49-40-36(22-28-10-3-1-4-11-28)47(26-30-14-9-15-33(21-30)43-25-39-45-35-16-7-8-17-38(35)52-39)42(51)48(27-31-18-19-34-32(20-31)24-44-46-34)37(41(40)50)23-29-12-5-2-6-13-29/h1-21,24,36-37,40-41,43,49-50H,22-23,25-27H2,(H,44,46)/t36-,37-,40+,41+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.0590n/an/an/an/an/an/an/an/a



Dupont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease

J Med Chem 41: 2411-23 (1998)


Article DOI: 10.1021/jm980103g
BindingDB Entry DOI: 10.7270/Q2H41QJW
More data for this
Ligand-Target Pair