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BDBM50156140 1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-5-[4-(2-methoxycarbonyl-vinyl)-phenoxy]-1,6-dioxo-hexan-2-ol anion

SMILES: COC(=O)\C=C\c1ccc(O[C@H]([C@H](O)[C@@H](O)[C@@H]([O-])C(=O)NC(=O)[C@@H](C)C(C)C)C(=O)NC(=O)[C@@H](C)C(C)C)cc1

InChI Key: InChIKey=MPTMMKFWSSOQSJ-FGEBYAIDSA-N

Data: 1 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156140   
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)
BDBM50156140
PNG
(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Show SMILES COC(=O)\C=C\c1ccc(O[C@H]([C@H](O)[C@@H](O)[C@@H]([O-])C(=O)NC(=O)[C@@H](C)C(C)C)C(=O)NC(=O)[C@@H](C)C(C)C)cc1
Show InChI InChI=1S/C28H39N2O10/c1-14(2)16(5)25(35)29-27(37)23(34)21(32)22(33)24(28(38)30-26(36)17(6)15(3)4)40-19-11-8-18(9-12-19)10-13-20(31)39-7/h8-17,21-24,32-33H,1-7H3,(H,29,35,37)(H,30,36,38)/q-1/b13-10+/t16-,17-,21+,22+,23+,24+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition constant for human immunodeficiency virus type 1 protease


J Med Chem 47: 5953-61 (2004)


Article DOI: 10.1021/jm0499110
BindingDB Entry DOI: 10.7270/Q2FQ9XDV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50156140
PNG
(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Show SMILES COC(=O)\C=C\c1ccc(O[C@H]([C@H](O)[C@@H](O)[C@@H]([O-])C(=O)NC(=O)[C@@H](C)C(C)C)C(=O)NC(=O)[C@@H](C)C(C)C)cc1
Show InChI InChI=1S/C28H39N2O10/c1-14(2)16(5)25(35)29-27(37)23(34)21(32)22(33)24(28(38)30-26(36)17(6)15(3)4)40-19-11-8-18(9-12-19)10-13-20(31)39-7/h8-17,21-24,32-33H,1-7H3,(H,29,35,37)(H,30,36,38)/q-1/b13-10+/t16-,17-,21+,22+,23+,24+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.95n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for human immunodeficiency virus type 1 protease


J Med Chem 47: 5953-61 (2004)


Article DOI: 10.1021/jm0499110
BindingDB Entry DOI: 10.7270/Q2FQ9XDV
More data for this
Ligand-Target Pair