BDBM13936 (2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2-[(2S)-2-{[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]-3-methylpentanamido]hexyl]amino}hexanamido]pentanediamide::Ac-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2::Ace-T-I-Nle-r-Nle-Q-R::CHEMBL48996::N-1465::Peptide Inhibitor p2/NC

SMILES CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC

InChI Key InChIKey=MQPXOVRKKPPKFZ-QYKDHROSSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 13936   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM13936((2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2...)
Affinity DataKi:  776nMAssay Description:Binding affinity to HIV-1 proteaseChecked by AuthorMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM13936((2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2...)
Affinity DataKi:  780nMAssay Description:Binding affinity against HIV-1 aspartic proteinase was determinedMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L525I](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM13936((2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2...)
Affinity DataKi:  2.00E+3nM ΔG°:  -7.69kcal/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM13936((2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2...)
Affinity DataKi:  2.17E+3nM ΔG°:  -7.64kcal/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM13936((2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2...)
Affinity DataKi:  3.30E+3nM ΔG°:  -7.40kcal/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM13936((2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2...)
Affinity DataKi:  4.10E+4nM ΔG°:  -5.92kcal/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair