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SMILES [#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6@H]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O

InChI Key InChIKey=IECPWNUMDGFDKC-MZJAQBGESA-N

PDB links: 22 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 58924   

TargetBile salt export pump(Rattus norvegicus)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataKi:  2.20E+3nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in canalicular membrane vesicles of rat liverMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4G4PPubMed
TargetATP-binding cassette sub-family C member 2(Rattus norvegicus)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataKi:  5.50E+3nMAssay Description:TP_TRANSPORTER: inhibition of LTC4 uptake in canalicular membrane vesicles of rat liverMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4G4PPubMed
TargetATP-binding cassette sub-family C member 2(Rattus norvegicus)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataKi:  7.60E+3nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in canalicular membrane vesicles of rat liverMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4G4PPubMed
TargetATP-binding cassette sub-family C member 2(Rattus norvegicus)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataKi:  1.30E+4nMAssay Description:TP_TRANSPORTER: inhibition of LTC4 uptake in Mrp2-expressing HEK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4G4PPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 5.20E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PZ5DT3PubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.01E+4nMAssay Description:Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.15E+4nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20Z7500PubMed
TargetBile salt export pump(Rattus norvegicus)
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.74E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20Z7500PubMed
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataEC50:  362nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2736PBVPCBioAssay
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM58924((2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-ac...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed