BDBM50050955 2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl) ester::3-O-(3',3'-dimethyl-succinyl)-betulinic acid::3-O-(3',3'-dimethylsuccinyl)-betulinic acid::3-O-(3',3'-dimethylsuccinyl)betulinic acid::BEVIRIMAT::CHEMBL404519::DBS, PA-457::PA-457::US11660306, Example bevirimat

SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

InChI Key InChIKey=YJEJKUQEXFSVCJ-WRFMNRASSA-N

Data  2 KI  2 IC50  5 EC50

PDB links: 1 PDB ID matches 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 9 hits for monomerid = 50050955   

TargetTyrosine-protein phosphatase non-receptor type 1 [1-405](Homo sapiens (Human))
Cold Spring Harbor Laboratory

US Patent
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataKi:  4.40E+3nMAssay Description:Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 ho...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein phosphatase non-receptor type 1 [1-321](Homo sapiens (Human))
Cold Spring Harbor Laboratory

US Patent
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataKi:  7.00E+3nMAssay Description:Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 ho...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataEC50:  970nMAssay Description:Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataIC50:  552nMAssay Description:Binding affinity to CA-SP1 P373S/V370A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataEC50:  10nMAssay Description:Binding affinity to CA-SP1 P373S/T371A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataEC50:  74nMAssay Description:Binding affinity to CA-SP1 P373S/V362I double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataEC50:  10nMAssay Description:Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataIC50: >1.71E+5nMAssay Description:Inhibitory activity of the compound against HIV-RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50050955(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Affinity DataEC50:  1.12E+3nMAssay Description:Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...More data for this Ligand-Target Pair