BDBM31774 CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812

SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

InChI Key InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N

Data  7 KI  53 IC50  10 Kd  2 EC50

PDB links: 9 PDB IDs match this monomer.

  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 53 hits for monomerid = 31774   

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  3.02E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 1(Rattus norvegicus (rat))
Queen'S University

LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  3.50E+4nMpH: 7.4 T: 2°CAssay Description:HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeme oxygenase 2(Rattus norvegicus (rat))
Queen'S University

LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50: >1.00E+5nMpH: 7.4 T: 2°CAssay Description:HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50: >5.00E+5nMpH: 7.4 T: 2°CAssay Description:Microsomal preparation: One lobe of fresh pig liver is obtained (e.g., at about the time of slaughter from a food-processing company) and immediately...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  300nMAssay 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
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  7.41E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  883nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  136nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.25E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  803nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50: <100nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  2.00E+4nMAssay 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 ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  590nMAssay Description:Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.50E+5nMAssay Description:Aggregate based-inhibition of Escherichia coli AmpC beta lactamase using stringent assay conditions in presence of 0.01% Triton X-100 detergentMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of Escherichia coli AmpC beta lactamase using relaxed assay conditions in presence of 0.00001% Triton X-100 detergentMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
4Sc

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  70nMAssay Description:Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  70nMAssay Description:Inhibition of IK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  690nMAssay Description:Inverse agonist activity at human CAR-LBD transfected in CV-1 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  100nMAssay Description:Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-SRC1 coactivator recruitment after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  80nMAssay Description:Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  50nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  20nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  6.70E+3nMAssay 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 ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
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 ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  3.50E+3nMAssay 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 ArticlePubMed
TargetChymotrypsinogen A(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  8.50E+4nMAssay Description:Compound was tested for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMalate dehydrogenase, cytoplasmic(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Escherichia coli)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  2.00E+4nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  360nMAssay Description:Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] effluxMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetC-C chemokine receptor type 4(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment medi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.51E+4nMAssay Description:Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by bet...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.08E+4nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
University Of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated lucifera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
City Of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  3.24E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Act

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  130nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistidine-rich protein PFHRP-II(Plasmodium falciparum)
Universita' Di Siena

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  2.50E+9nMAssay Description:Inhibition of beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Mus musculus)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Mus musculus)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  5.16E+4nMAssay Description:Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  6.70E+3nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50: <1.00E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell membrane vesicles assessed as reduction in ATP-dependent [3H]-tauroc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50: <1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  67nMAssay Description:Inhibition of recombinant human CYP3A4 using Luciferin-PPXE as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins b...More data for this Ligand-Target Pair
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of p97 in human HeLa cells assessed as reduction in p97-dependent UbG76V-GFP degradation incubated for 1 hr by luciferase reporter gene as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of p97 (unknown origin) assessed as reduction in ATPase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed