BindingDB logo
myBDB logout

BDBM9327 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL312930::Cyclic Urea 43

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(Cl)c2)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=ZUJGJNYAFLLTGY-ZRTHHSRSSA-N

Data: 2 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 2 hits for monomerid = 9327   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM9327
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-chlorophenyl...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(Cl)c2)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C33H32Cl2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease


J Med Chem 42: 249-59 (1999)


Article DOI: 10.1021/jm980369n
BindingDB Entry DOI: 10.7270/Q2JM28TM
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9327
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-chlorophenyl...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(Cl)c2)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C33H32Cl2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.890n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company



Assay Description
Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
BindingDB Entry DOI: 10.7270/Q2ZW1J3M
More data for this
Ligand-Target Pair