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BDBM50283731 (S)-4-(4-Bromo-thiophen-2-ylmethyl)-1-[(2S,4R)-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-4-yl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL318777

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=YAVCJFGXZDADDF-ZQOZVIGDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50283731   
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)
BDBM50283731
PNG
((S)-4-(4-Bromo-thiophen-2-ylmethyl)-1-[(2S,4R)-2-h...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc(Br)cs2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C34H44BrN5O4S/c1-34(2,3)38-33(44)29-20-39(19-27-17-25(35)21-45-27)12-13-40(29)18-26(41)15-24(14-22-8-10-36-11-9-22)32(43)37-31-28-7-5-4-6-23(28)16-30(31)42/h4-11,17,21,24,26,29-31,41-42H,12-16,18-20H2,1-3H3,(H,37,43)(H,38,44)/t24-,26+,29+,30-,31+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Immunodeficiency virus-1 protease


Bioorg Med Chem Lett 4: 2769-2774 (1994)


Article DOI: 10.1016/S0960-894X(01)80592-8
BindingDB Entry DOI: 10.7270/Q25B02F8
More data for this
Ligand-Target Pair