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BDBM50156138 2,3-Dihydroxy-1,4-bis-(2-hydroxy-indan-1-ylcarbamoyl)-4-phenoxy-butan-1-ol anion

SMILES: O[C@H]([C@@H](O)[C@@H](Oc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12)[C@@H]([O-])C(=O)NC1[C@@H](O)Cc2ccccc12

InChI Key: InChIKey=MIOGFLIGURPZIN-IVOYZJQRSA-N

Data: 1 KI  1 Kd

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 2 hits for monomerid = 50156138   
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)
BDBM50156138
PNG
(2,3-Dihydroxy-1,4-bis-(2-hydroxy-indan-1-ylcarbamo...)
Show SMILES O[C@H]([C@@H](O)[C@@H](Oc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12)[C@@H]([O-])C(=O)NC1[C@@H](O)Cc2ccccc12
Show InChI InChI=1S/C30H31N2O8/c33-21-14-16-8-4-6-12-19(16)23(21)31-29(38)27(37)25(35)26(36)28(40-18-10-2-1-3-11-18)30(39)32-24-20-13-7-5-9-17(20)15-22(24)34/h1-13,21-28,33-36H,14-15H2,(H,31,38)(H,32,39)/q-1/t21-,22-,23?,24?,25+,26+,27+,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.600n/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)
BDBM50156138
PNG
(2,3-Dihydroxy-1,4-bis-(2-hydroxy-indan-1-ylcarbamo...)
Show SMILES O[C@H]([C@@H](O)[C@@H](Oc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12)[C@@H]([O-])C(=O)NC1[C@@H](O)Cc2ccccc12
Show InChI InChI=1S/C30H31N2O8/c33-21-14-16-8-4-6-12-19(16)23(21)31-29(38)27(37)25(35)26(36)28(40-18-10-2-1-3-11-18)30(39)32-24-20-13-7-5-9-17(20)15-22(24)34/h1-13,21-28,33-36H,14-15H2,(H,31,38)(H,32,39)/q-1/t21-,22-,23?,24?,25+,26+,27+,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 13.9n/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