BDBM31774 CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812
SMILES c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
InChI Key InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 74 hits for monomerid = 31774
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
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
TargetIntermediate conductance calcium-activated potassium channel protein 4(Human)
4Sc
Curated by ChEMBL
4Sc
Curated by ChEMBL
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
TargetIntermediate conductance calcium-activated potassium channel protein 4(Human)
4Sc
Curated by ChEMBL
4Sc
Curated by ChEMBL
TargetMycocyclosin synthase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Cambridge
Curated by ChEMBL
University of Cambridge
Curated by ChEMBL
Affinity DataKd: 73nMAssay Description:Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 3(Human)
St. Jude Children'S Research Hospital
Curated by ChEMBL
St. Jude Children'S Research Hospital
Curated by ChEMBL
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
Affinity DataKi: 81.5nMAssay Description:In vitro inhibition of human Cytochrome P450 17A1 activityMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 3(Human)
St. Jude Children'S Research Hospital
Curated by ChEMBL
St. Jude Children'S Research Hospital
Curated by ChEMBL
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
TargetNuclear receptor subfamily 1 group I member 3(Human)
St. Jude Children'S Research Hospital
Curated by ChEMBL
St. Jude Children'S Research Hospital
Curated by ChEMBL
Affinity DataKi: 100nMAssay Description:Binding affinity to biotinylated human CAR LBD after 1 hr by Scintillation Proximity AssayMore data for this Ligand-Target Pair
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
Affinity DataKd: 103nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affin...More data for this Ligand-Target Pair
Affinity DataIC50: 130nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
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
TargetLanosterol 14-alpha demethylase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Swansea University
Curated by ChEMBL
Swansea University
Curated by ChEMBL
Affinity DataKd: 200nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP51More data for this Ligand-Target Pair
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
TargetIntermediate conductance calcium-activated potassium channel protein 4(Human)
4Sc
Curated by ChEMBL
4Sc
Curated by ChEMBL
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
TargetCytochrome P450 144(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre
Manchester Interdisciplinary Biocentre
Affinity DataKd: 370nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
Jagiellonian University
Curated by ChEMBL
Jagiellonian University
Curated by ChEMBL
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
TargetNuclear receptor subfamily 1 group I member 3(Human)
St. Jude Children'S Research Hospital
Curated by ChEMBL
St. Jude Children'S Research Hospital
Curated by ChEMBL
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
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
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
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
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
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
TargetC-C chemokine receptor type 4(Human)
University of North Carolina at Chapel Hill
Curated by ChEMBL
University of North Carolina at Chapel Hill
Curated by ChEMBL
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
TargetC-X-C chemokine receptor type 1(Human)
University of North Carolina at Chapel Hill
Curated by ChEMBL
University of North Carolina at Chapel Hill
Curated by ChEMBL
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
Affinity DataEC50: 2.70E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
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
TargetTransient receptor potential cation channel subfamily M member 2(Human)
Peking University
Curated by ChEMBL
Peking University
Curated by ChEMBL
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR-activated current by whole cell patch clamp electrophysiologyMore data for this Ligand-Target Pair
Affinity DataIC50: 3.02E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
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
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
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre
Manchester Interdisciplinary Biocentre
Affinity DataKd: 3.80E+3nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
Affinity DataEC50: 4.69E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase cyp51A(Neosartorya fumigata (Aspergillus fumigatus))
Swansea University
Curated by ChEMBL
Swansea University
Curated by ChEMBL
Affinity DataKd: 4.79E+3nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coliMore data for this Ligand-Target Pair
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
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Pig)
University of Chemistry and Technology Prague
Curated by ChEMBL
University of Chemistry and Technology Prague
Curated by ChEMBL
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of pig gastric mucosa Potassium-transporting ATPase by malachite green based colorimetric methodMore data for this Ligand-Target Pair
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre
Manchester Interdisciplinary Biocentre
Affinity DataKd: 5.30E+3nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
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
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of cloned Kv1.3 channel expressed in mammalian cells by whole cell patch clamp assayMore data for this Ligand-Target Pair
TargetCytochrome P450 130(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of California San Francisco
University of California San Francisco
Affinity DataKd: 6.10E+3nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
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
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
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
TargetC-X-C chemokine receptor type 1(Human)
University of North Carolina at Chapel Hill
Curated by ChEMBL
University of North Carolina at Chapel Hill
Curated by ChEMBL
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
TargetTransient receptor potential cation channel subfamily M member 8(Human)
Instituto De Qu£Mica M£Dica
Curated by ChEMBL
Instituto De Qu£Mica M£Dica
Curated by ChEMBL
Affinity DataIC50: 8.00E+3nMAssay Description:Antagonist activity at TRPM8 (unknown origin)More data for this Ligand-Target Pair
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

3D Structure (crystal)