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BDBM50156147 1-(2,3-Dimethyl-butyrylamino)-3,4-dihydroxy-5-(2-hydroxy-indan-1-ylcarbamoyl)-1-oxo-5-phenoxy-pentan-2-ol anion

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

InChI Key: InChIKey=BPLXRGCVYOZCEL-TYLVMCJZSA-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 = 50156147   
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)
BDBM50156147
PNG
(1-(2,3-Dimethyl-butyrylamino)-3,4-dihydroxy-5-(2-h...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12
Show InChI InChI=1S/C27H33N2O8/c1-14(2)15(3)25(34)29-26(35)23(33)21(31)22(32)24(37-17-10-5-4-6-11-17)27(36)28-20-18-12-8-7-9-16(18)13-19(20)30/h4-12,14-15,19-24,30-32H,13H2,1-3H3,(H,28,36)(H,29,34,35)/q-1/t15-,19-,20?,21+,22+,23+,24+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0500n/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)
BDBM50156147
PNG
(1-(2,3-Dimethyl-butyrylamino)-3,4-dihydroxy-5-(2-h...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12
Show InChI InChI=1S/C27H33N2O8/c1-14(2)15(3)25(34)29-26(35)23(33)21(31)22(32)24(37-17-10-5-4-6-11-17)27(36)28-20-18-12-8-7-9-16(18)13-19(20)30/h4-12,14-15,19-24,30-32H,13H2,1-3H3,(H,28,36)(H,29,34,35)/q-1/t15-,19-,20?,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 4.42n/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