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BDBM50156154 1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-1,6-dioxo-5-(4-pyridin-2-yl-phenoxy)-hexan-2-ol anion

SMILES: CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)-c1ccccn1)C(=O)NC(=O)[C@@H](C)C(C)C

InChI Key: InChIKey=CRCJQSACDQSWQE-PMIQEXSYSA-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 = 50156154   
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)
BDBM50156154
PNG
(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)-c1ccccn1)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C29H38N3O8/c1-15(2)17(5)26(36)31-28(38)24(35)22(33)23(34)25(29(39)32-27(37)18(6)16(3)4)40-20-12-10-19(11-13-20)21-9-7-8-14-30-21/h7-18,22-25,33-34H,1-6H3,(H,31,36,38)(H,32,37,39)/q-1/t17-,18-,22+,23+,24+,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.610n/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)
BDBM50156154
PNG
(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)-c1ccccn1)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C29H38N3O8/c1-15(2)17(5)26(36)31-28(38)24(35)22(33)23(34)25(29(39)32-27(37)18(6)16(3)4)40-20-12-10-19(11-13-20)21-9-7-8-14-30-21/h7-18,22-25,33-34H,1-6H3,(H,31,36,38)(H,32,37,39)/q-1/t17-,18-,22+,23+,24+,25+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.18n/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