BDBM13934 Atazanavir::BMS 232632::CGP 73547::CHEMBL1163::Latazanavir::US10806794, Compound Atazanavir::methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate::methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate

SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

InChI Key InChIKey=AXRYRYVKAWYZBR-GASGPIRDSA-N

Data  23 KI  20 IC50  1 Kd  1 EC50

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 13934   

TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataKi:  0.0240nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataKi:  0.0500nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assayMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataKi:  2.70nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataKi:  2.70nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataIC50:  4nMAssay Description:Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometri...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataIC50:  4nMAssay Description:Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataIC50:  4nMAssay Description:Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataIC50:  0.0400nMAssay Description:Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataIC50:  0.300nMAssay Description:Inhibition of HIV1 protease activityMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataIC50:  0.0400nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataEC50:  0.700nMAssay Description:Inhibition of HIV1 NL4-3 protease assessed as decrease in viral replication in human MT2 cells after 4 days by luciferase reporter gene assayMore data for this Ligand-Target Pair