null

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

  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 120 hits for monomerid = 50022815   

TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GF0S8JUS Patent
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (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...)copy SMILEScopy InChI
Affinity DataIC50: 4.80E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3XS4PubMed
TargetUDP-glucuronosyltransferase 1A4(Homo sapiens (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...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3XS4PubMed
TargetUDP-glucuronosyltransferase 1-6(Homo sapiens (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...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3XS4PubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (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...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3XS4PubMed
TargetUDP-glucuronosyltransferase 2B10(Homo sapiens (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...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ3XS4PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 62nMAssay Description:In vitro binding affinity of the compound against cyclophilin A by ELISAMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6B79PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD4296PubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using pitavastatin substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1NN1PubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estradiol-17beta-glucuronide substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1NN1PubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1NN1PubMed
TargetBile salt export pump(Homo sapiens (Human))
King's College Hospital

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20Z7500PubMed
TargetBile salt export pump(Rattus norvegicus)
University Hospital

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20Z7500PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z1796PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z1796PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79D5CPubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Mus musculus (Mouse))
Anhui Agricultural University

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72K8VPubMed
TargetPeptidyl-prolyl cis-trans isomerase D(Homo sapiens (Human))
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24T6M8FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23J3FW7PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 40.7nMAssay Description:Inhibition of peptidyl-prolyl isomerase activity of Cyclophilin AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930T62PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 3.70nMAssay Description:Inhibition of PPIase activity of cyclophilin 18 by protease coupled assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2VBHPubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Binding affinity to human cyclophilin 18More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2VBHPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of human recombinant CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40VDGPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Scynexis, Inc.

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of human recombinant CYP2C19 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40VDGPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Scynexis, Inc.

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 3.88E+4nMAssay Description:Inhibition of human recombinant CYP2C9 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40VDGPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Scynexis, Inc.

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP1A2 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40VDGPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Scynexis, Inc.

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP2D6 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40VDGPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53M5KPubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87B59PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2183715PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Centre de Recherche de Paris

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 455nMAssay Description:In vitro inhibitory activity against HIV-1 RT in CEM4 cell lineMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2183715PubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
NOVARTIS Pharma AG

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668DW6PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Homo sapiens (Human))
D�partement D'Ing�nierie et D'Etudes des Prot�ines

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay Description:50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SQ9135PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Oslo

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Kagoshima University

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of ABCC2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RN39TMPubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 2.81E+3nMAssay Description:Inhibition of MRP1 (unknown origin) expressed in human 2008 cells assessed as calcein-AM accumulation preincubated for 30 mins before calcein-AM addi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W66N6KPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Kagoshima University

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 2.56E+4nMAssay Description:Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RN39TMPubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Deutsches Krebsforschungszentrum

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of MRP1 in human 2008 cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measured up to 90 mins by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TX3GT2PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 920nMAssay Description:Inhibition of MDR1 in human doxorubicin-resistant A2780adr cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measu...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TX3GT2PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 9nMAssay Description:Compound was evaluated for in vitro binding affinity to cyclophilin A (CyP-A)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23J3C16PubMed
TargetInterleukin-2(Mus musculus)
Sandoz Pharma Ltd.

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6B79PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan, Inc.

US Patent
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 27nMAssay Description:In vitro binding affinity of the compound against cyclophilin A by rotamase assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6B79PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 1.41E+3nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed