BDBM50022815 (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone::30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CYCLOSPORINE::Cyclosporin A::Cyclosporine A::Cyclosproine A::US10077289, Compound Cyclosporin A::US9138393, Cyclosporin A

SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

InChI Key InChIKey=PMATZTZNYRCHOR-CGLBZJNRSA-N

Data  44 KI  124 IC50  18 Kd  10 EC50

  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 196 hits for monomerid = 50022815   

TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails
US Patent

TargetUDP-glucuronosyltransferase 1A1(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 4.80E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 1A4(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 2.30E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 1-6(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 2B7(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetUDP-glucuronosyltransferase 2B10(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 62nMAssay Description:In vitro binding affinity against cyclophilin A by ELISAMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 919nMAssay Description:Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 700nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using pitavastatin substrateMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 700nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estradiol-17beta-glucuronide substrateMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estrone-3-sulfate substrateMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataEC50:  32nMAssay Description:Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing paclitaxel resistance measured as cell survival a...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataEC50:  43nMAssay Description:Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival ...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 500nMAssay 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
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 600nMAssay 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
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.45E+3nMAssay Description:Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated for 15 mins before substrate additio...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 2.06E+3nMAssay Description:Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation after 7.5 mins by LC-MS methodMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Guinea pig)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytesMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataEC50:  4.55E+4nMAssay Description:Inhibition of P-glycoprotein-mediated [3H]vinblastine transport in human Caco-2 cellsMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 570nMAssay Description:Inhibition of PI3K-gamma in mouse lymph node cells assessed as inhibition of ConA-stimulated T cell proliferationMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase D(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per milli...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase D(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataKd:  13nMAssay Description:Binding affinity to Cyclophilin D (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.41E+3nMAssay Description:Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 40.7nMAssay Description:Inhibition of peptidyl-prolyl isomerase activity of Cyclophilin AMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of PPIase activity of cyclophilin 18 by protease coupled assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataKd:  9nMAssay Description:Binding affinity to human cyclophilin 18 assessed as reduction in calcineurin activityMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 100nMAssay Description:Binding affinity to human cyclophilin 18More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of human recombinant CYP3A4 after 30 minsMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Scynexis

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of human recombinant CYP2C19 after 30 minsMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Scynexis

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 3.88E+4nMAssay Description:Inhibition of human recombinant CYP2C9 after 30 minsMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Scynexis

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP1A2 after 30 minsMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Scynexis

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP2D6 after 30 minsMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 650nMAssay Description:Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysisMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataKd:  7.60nMAssay Description:Binding affinity to human recombinant cyclophilin-A by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 9.30nMAssay Description:Inhibition of PPIase activity of human recombinant cyclophilin-A using succinyl-Ala-Ala-Pro-Phe-4-nitroanilide as substrate by protease coupled assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataKd:  4nMAssay Description:Binding affinity to protein phosphatase, calcineurin (CN) was determinedMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article

TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 2nMAssay Description:Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Centre De Recherche De Paris

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 455nMAssay Description:In vitro inhibitory activity against HIV-1 RT in CEM4 cell lineMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 5.00E+4nMAssay Description:In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Sandoz Pharma

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataKd:  300nMAssay Description:Binding affinity towards cyclophilin A by fluorescenceMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Departement D'Ingenierie Et D'Etudes Des Proteines

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 16nMAssay Description:50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 800nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 500nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 700nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 3.70E+4nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Affinity DataEC50:  8.00E+4nMAssay Description:Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cellsMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails Article
PubMed
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