BDBM198 (2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide::A-76928::JMC51852 Inhibitor PP

SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C

InChI Key InChIKey=QPVWMQXBTCSLCB-UNHORJANSA-N

Data  3 KI  1 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 198   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Nci-Fcrdc

LigandPNGBDBM198((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  0.0110nM ΔG°:  -15.2kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Universidad De Santiago De Compostela

LigandPNGBDBM198((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  1.30nM ΔG°:  -12.6kcal/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,V571A](Human immunodeficiency virus type 1)
Universidad De Santiago De Compostela

LigandPNGBDBM198((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  9nM ΔG°:  -11.4kcal/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM198((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKd:  0.0759nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Universidade Federal De Lavras

Curated by ChEMBL
LigandPNGBDBM198((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataIC50:  15nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activityMore data for this Ligand-Target Pair