BindingDB logo
myBDB logout

BDBM7087 SD146 Analog 8

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1Cc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=JRBCRNGAKHIIBU-ZBHPTHKISA-N

Data: 1 KI

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 7087   
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 type 1)		BDBM7087
PNG
(SD146 Analog 8)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C63H56N8O7/c72-57-55(35-41-25-29-49(30-26-41)77-39-43-13-3-1-4-14-43)70(37-45-17-11-19-47(33-45)59(74)68-61-64-51-21-7-8-22-52(51)65-61)63(76)71(56(58(57)73)36-42-27-31-50(32-28-42)78-40-44-15-5-2-6-16-44)38-46-18-12-20-48(34-46)60(75)69-62-66-53-23-9-10-24-54(53)67-62/h1-34,55-58,72-73H,35-40H2,(H2,64,65,68,74)(H2,66,67,69,75)/t55-,56-,57+,58+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.70 -12.0n/an/an/an/an/a5.537



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-...

Bioorg Med Chem Lett 8: 1077-82 (1998)


Article DOI: 10.1016/s0960-894x(98)00175-9
BindingDB Entry DOI: 10.7270/Q21G0JGN
More data for this
Ligand-Target Pair