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BDBM50368428 CHEMBL1790878::CHEMBL3349489

SMILES: [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=DENZMIJKOPPLPN-ZGVMPEEESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368428   
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)
BDBM50368428
PNG
(CHEMBL1790878 | CHEMBL3349489)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C49H69N7O10/c1-9-30(4)42(46(62)54-41(29(2)3)47(63)65-8)55-45(61)38-20-15-23-56(38)28-39(57)35(25-31-16-11-10-12-17-31)51-44(60)37(27-40(50)58)52-43(59)36(53-48(64)66-49(5,6)7)26-32-21-22-33-18-13-14-19-34(33)24-32/h10-14,16-19,21-22,24,29-30,35-39,41-42,57H,9,15,20,23,25-28H2,1-8H3,(H2,50,58)(H,51,60)(H,52,59)(H,53,64)(H,54,62)(H,55,61)/t30-,35+,36+,37+,38?,39-,41+,42+/m1/s1
PDB
MMDB

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair