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BDBM50091618 4-Furo[3,2-b]pyridin-6-ylmethyl-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL408413

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3ccoc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=APYLHGQERCKLFK-KMCBLFQRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091618   
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)
BDBM50091618
PNG
(4-Furo[3,2-b]pyridin-6-ylmethyl-1-[2-hydroxy-4-(2-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3ccoc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)41-37(47)32-24-42(22-26-18-34-31(39-21-26)13-16-48-34)14-15-43(32)23-29(44)19-28(17-25-9-5-4-6-10-25)36(46)40-35-30-12-8-7-11-27(30)20-33(35)45/h4-13,16,18,21,28-29,32-33,35,44-45H,14-15,17,19-20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t28-,29+,32+,33-,35?/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in vitro.


J Med Chem 43: 3386-99 (2000)


BindingDB Entry DOI: 10.7270/Q23J3DP4
More data for this
Ligand-Target Pair