BindingDB logo
myBDB logout

BDBM36652 3-alkylaminoindazole cyclic urea, (c-PrCH2-)

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(NC4CC4)c3c2)C(=O)N(Cc2ccc3[nH]nc(NC4CC4)c3c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=KRUPDMNWGLEETI-RNATXAOGSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36652   
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)		BDBM36652
PNG
(3-alkylaminoindazole cyclic urea, (c-PrCH2-))
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(NC4CC4)c3c2)C(=O)N(Cc2ccc3[nH]nc(NC4CC4)c3c2)[C@@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C41H44N8O3/c50-37-35(21-25-7-3-1-4-8-25)48(23-27-11-17-33-31(19-27)39(46-44-33)42-29-13-14-29)41(52)49(36(38(37)51)22-26-9-5-2-6-10-26)24-28-12-18-34-32(20-28)40(47-45-34)43-30-15-16-30/h1-12,17-20,29-30,35-38,50-51H,13-16,21-24H2,(H2,42,44,46)(H2,43,45,47)/t35-,36-,37+,38+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.340n/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