BDBM50404044 A-56268::ABBOTT-56268::CLARITHROMYCIN

SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC

InChI Key InChIKey=AGOYDEPGAOXOCK-KCBOHYOISA-N

Data  1 KI  18 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50404044   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataKi:  5.49E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  3.09E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter Ltd

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  5.89E+4nMAssay Description:Inhibition of human Potassium channel HERG expressed in mammalian cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  3.80E+3nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  1.51E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  5.02E+4nMAssay Description:TP_TRANSPORTER: inhibition of JC-1 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  5.61E+4nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  7.20E+3nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  8.67E+4nMAssay Description:TP_TRANSPORTER: inhibition of Fluo-3-AM efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  2.38E+4nMAssay Description:TP_TRANSPORTER: inhibition of Tetramethylrosamine efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter Ltd

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  3.31E+4nMAssay Description:Inhibition of K+ channel activity in mammalian cells expressing HERG Kv11.1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter Ltd

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  4.60E+4nMAssay Description:Inhibitory concentration against IKr potassium channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter Ltd

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  5.89E+4nMAssay Description:Inhibitory concentration against potassium channel HERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Gedeon Richter Ltd

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  5.89E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
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 ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50: >1.33E+5nMAssay 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 ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
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 ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
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 ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
KU Leuven

Curated by ChEMBL
LigandPNGBDBM50404044(A-56268 | ABBOTT-56268 | CLARITHROMYCIN)
Affinity DataIC50:  3.31E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed