BDBM50367247 QUININE::Quinamm::Quinsan::cid_3034034

SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1

InChI Key InChIKey=LOUPRKONTZGTKE-WZBLMQSHSA-N

Data  11 KI  32 IC50  1 Kd  1 EC50

PDB links: 4 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50367247   

TargetSolute carrier family 22 member 1(RAT)
Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  930nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
Anatomisches Institut Der Bayerischen Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  3.40E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier organic anion transporter family member 1A4(Rattus norvegicus)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  3.81E+3nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin uptake in Oatp2-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(RAT)
Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  4.30E+3nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  4.60E+3nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  1.20E+4nMAssay Description:High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  1.50E+4nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  2.10E+4nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  2.29E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSolute carrier family 22 member 2(RAT)
Institute Of Anatomy Of The Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  5.50E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1A1(Rattus norvegicus)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKi:  7.67E+4nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D26(Rattus norvegicus)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  94nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D1(Rattus norvegicus)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  4.65E+4nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D4(Rattus norvegicus)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D3(Rattus norvegicus)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.12E+5nMAssay 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))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.85E+5nMAssay Description:TP_TRANSPORTER: inhibition of Tetramethylrosamine efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  7.44E+4nMAssay 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))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  8.76E+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))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.68E+5nMAssay 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))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  2.26E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Mus musculus)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  280nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Mus musculus)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  2.80E+3nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Universitat De Barcelona

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataKd:  3.09E+5nMAssay Description:Binding affinity to human serum albumin by PAMPA methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(Plasmodium falciparum)
University Of Antwerp

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  7.40E+9nMAssay Description:Inhibition of beta-hematin formation by BHIA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  5.16E+4nMAssay Description:Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(RAT)
Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  4.10E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
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
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
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
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  10nMAssay Description:Inhibition of human CYP2D6 preincubated for 5 mins followed by NADPH addition and measured after 45 mins by luminescence based microplate reader anal...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  610nMAssay Description:Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell lineMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.59E+5nMAssay 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))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  4.30E+5nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of human CYP2D6 expressed in Escherichia coli JM109More data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  4.40E+3nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(RAT)
Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.10E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(RAT)
Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  900nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(RAT)
Institute Of Anatomy Of The Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  3.80E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(RAT)
Institute Of Anatomy Of The Bayerische Julius-Maximilians-Universit£T

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.30E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of P-gp-mediated Rhodamine-123 efflux in human MCF-7/DOX cells assessed as Rhodamine-123 accumulation preincubated for 15 mins followed by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPotassium channel subfamily K member 2(Homo sapiens (Human))
Korea Institute of Science and Technology

LigandPNGBDBM50367247(QUININE | Quinamm | Quinsan | cid_3034034)
Affinity DataIC50:  3.85E+3nMpH: 7.3 T: 2°CAssay Description:The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed