BindingDB logo
myBDB logout

null

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)CC(O)(CO)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1

InChI Key: InChIKey=ARDCKWVEEJWENX-ZJULIBPYSA-N

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 = 50282103   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50282103
PNG
((3S,4aS,8aS)-2-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)CC(O)(CO)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H60N6O5/c1-6-27(2)36(39(51)42-23-35-43-32-18-12-13-19-33(32)44-35)45-37(49)31(20-28-14-8-7-9-15-28)22-41(52,26-48)25-47-24-30-17-11-10-16-29(30)21-34(47)38(50)46-40(3,4)5/h7-9,12-15,18-19,27,29-31,34,36,48,52H,6,10-11,16-17,20-26H2,1-5H3,(H,42,51)(H,43,44)(H,45,49)(H,46,50)/t27-,29-,30+,31+,34-,36-,41?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
Article
n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibitory activity against HIV-1 Protease

Bioorg Med Chem Lett 3: 1595-1600 (1993)


Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH
More data for this
Ligand-Target Pair