BDBM50180655 A-157378-0::A-157378.0::ABT-378::CHEBI:31781::Kaletra::Lopinavir::med.21724, Compound 185

SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1

InChI Key InChIKey=KJHKTHWMRKYKJE-SUGCFTRWSA-N

Data  14 KI  15 IC50  1 Kd  7 EC50

PDB links: 14 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50180655   

TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataKi:  0.0260nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataKi:  0.0290nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataKi:  0.0600nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Esch...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataKi:  2.40nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataIC50:  25nMAssay Description:Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...More data for this Ligand-Target Pair