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2 similar compounds to monomer 81676

Compile data set for download or QSAR
Wt: 477.5
BDBM81673		Wt: 476.5
BDBM81675

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 81673,81675   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
HIV-1 protease


(Human immunodeficiency virus)		BDBM81673
PNG
(CARB-KB45)
Show SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CC1)S(=O)(=O)c1ccco1
Show InChI InChI=1S/C23H31N3O6S/c1-24-21(28)11-12-22(29)25-19(14-17-6-3-2-4-7-17)20(27)16-26(15-18-9-10-18)33(30,31)23-8-5-13-32-23/h2-8,13,18-20,27H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
 58n/an/an/an/an/an/an/an/a



University of Maryland



Assay Description
Inhibition assay using HIV protease and Sulfonamide compounds.

Chem Biol Drug Des 69: 298-313 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00514.x
BindingDB Entry DOI: 10.7270/Q2TQ6011
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)		BDBM81673
PNG
(CARB-KB45)
Show SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CC1)S(=O)(=O)c1ccco1
Show InChI InChI=1S/C23H31N3O6S/c1-24-21(28)11-12-22(29)25-19(14-17-6-3-2-4-7-17)20(27)16-26(15-18-9-10-18)33(30,31)23-8-5-13-32-23/h2-8,13,18-20,27H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 58n/an/an/an/an/an/an/an/a



UMBI

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease Q7K mutant by FRET method

J Med Chem 52: 737-54 (2009)


Article DOI: 10.1021/jm8009525
BindingDB Entry DOI: 10.7270/Q2PN98FX
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)		BDBM81673
PNG
(CARB-KB45)
Show SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CC1)S(=O)(=O)c1ccco1
Show InChI InChI=1S/C23H31N3O6S/c1-24-21(28)11-12-22(29)25-19(14-17-6-3-2-4-7-17)20(27)16-26(15-18-9-10-18)33(30,31)23-8-5-13-32-23/h2-8,13,18-20,27H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 58n/an/an/an/an/an/an/an/a



UMBI

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease Q7K mutant by FRET method

J Med Chem 52: 737-54 (2009)


Article DOI: 10.1021/jm8009525
BindingDB Entry DOI: 10.7270/Q2PN98FX
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)		BDBM81675
PNG
(CARB-KB51)
Show SMILES C[C@@H](O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC1CCC=C1)S(=O)(=O)c1ccco1
Show InChI InChI=1S/C24H32N2O6S/c1-18(27)16-26(33(30,31)24-12-7-13-32-24)17-22(28)21(14-19-8-3-2-4-9-19)25-23(29)15-20-10-5-6-11-20/h2-5,7-10,12-13,18,20-22,27-28H,6,11,14-17H2,1H3,(H,25,29)/t18-,20?,21+,22-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 260n/an/an/an/an/an/an/an/a



University of Maryland



Assay Description
Inhibition assay using HIV protease and Sulfonamide compounds.

Chem Biol Drug Des 69: 298-313 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00514.x
BindingDB Entry DOI: 10.7270/Q2TQ6011
More data for this
Ligand-Target Pair