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SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(NC4CCC4)c3c2)C(=O)N(Cc2ccc3[nH]nc(NC4CCC4)c3c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=GWRRWVNYUPPKBN-WESAGZJESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36654   
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
HIV-1 protease


(Human immunodeficiency virus)		BDBM36654
PNG
(3-alkylaminoindazole cyclic urea, (-(CH2)4-))
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(NC4CCC4)c3c2)C(=O)N(Cc2ccc3[nH]nc(NC4CCC4)c3c2)[C@@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C43H48N8O3/c52-39-37(23-27-9-3-1-4-10-27)50(25-29-17-19-35-33(21-29)41(48-46-35)44-31-13-7-14-31)43(54)51(38(40(39)53)24-28-11-5-2-6-12-28)26-30-18-20-36-34(22-30)42(49-47-36)45-32-15-8-16-32/h1-6,9-12,17-22,31-32,37-40,52-53H,7-8,13-16,23-26H2,(H2,44,46,48)(H2,45,47,49)/t37-,38-,39+,40+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.30n/an/an/an/an/an/a5.5n/a



DuPont Merck Pharmaceutical Company



Assay Description
Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.

Chem Biol 5: 597-608 (1998)


Article DOI: 10.1016/s1074-5521(98)90117-x
BindingDB Entry DOI: 10.7270/Q2R78CK2
More data for this
Ligand-Target Pair