BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50011688'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50011688
PNG
(Boc-Asn-Phe-HEA(R)-Pro-Ile-Val-OMe | CHEMBL276962 ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H58N6O9/c1-9-22(4)30(33(47)40-29(21(2)3)34(48)50-8)41-32(46)26-16-13-17-42(26)20-27(43)24(18-23-14-11-10-12-15-23)38-31(45)25(19-28(37)44)39-35(49)51-36(5,6)7/h10-12,14-15,21-22,24-27,29-30,43H,9,13,16-20H2,1-8H3,(H2,37,44)(H,38,45)(H,39,49)(H,40,47)(H,41,46)/t22?,24-,25?,26+,27+,29?,30?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Syntex Research Canada

Curated by ChEMBL


Assay Description
Inhibitory activity of the Compound was tested against HIV protease enzyme.


J Med Chem 35: 1318-20 (1992)


Article DOI: 10.1021/jm00085a020
BindingDB Entry DOI: 10.7270/Q2W959T5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50011688
PNG
(Boc-Asn-Phe-HEA(R)-Pro-Ile-Val-OMe | CHEMBL276962 ...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H58N6O9/c1-9-22(4)30(33(47)40-29(21(2)3)34(48)50-8)41-32(46)26-16-13-17-42(26)20-27(43)24(18-23-14-11-10-12-15-23)38-31(45)25(19-28(37)44)39-35(49)51-36(5,6)7/h10-12,14-15,21-22,24-27,29-30,43H,9,13,16-20H2,1-8H3,(H2,37,44)(H,38,45)(H,39,49)(H,40,47)(H,41,46)/t22?,24-,25?,26+,27+,29?,30?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
In vitro concentration of the compound required to inhibit 50% activity of HIV protease was measured


J Med Chem 34: 1222-5 (1991)


Article DOI: 10.1021/jm00107a049
BindingDB Entry DOI: 10.7270/Q2057DWM
More data for this
Ligand-Target Pair