null
SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChI Key InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N
PDB links: 9 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 74 hits for monomerid = 31774
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(Homo sapiens (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
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children's Research Hospital
Curated by ChEMBL
St. Jude Children's Research Hospital
Curated by ChEMBL
Affinity DataKi: 1.83E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children's Research Hospital
Curated by ChEMBL
St. Jude Children's Research Hospital
Curated by ChEMBL
Affinity DataKi: 2.51E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Lilly Research Laboratories
Curated by ChEMBL
Lilly Research Laboratories
Curated by ChEMBL
Affinity DataKi: 2.99E+4nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University of Chemistry and Technology Prague
Curated by ChEMBL
University of Chemistry and Technology Prague
Curated by ChEMBL
Affinity DataKi: 3.50E+4nMAssay Description:Inhibition of rabbit skeletal muscle microsomes SERCA1aMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Lilly Research Laboratories
Curated by ChEMBL
Lilly Research Laboratories
Curated by ChEMBL
Affinity DataKi: 4.40E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.
Curated by ChEMBL
TCG Lifesciences Ltd.
Curated by ChEMBL
Affinity DataIC50: 3.02E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
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
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
Affinity DataEC50: 1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...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
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
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 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 DataKd: 1.33E+4nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
Affinity DataKd: 6.10E+3nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
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
3D Structure (crystal)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
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
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: 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
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: 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: 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
Jagiellonian University
Curated by ChEMBL
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
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (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
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
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
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
4SC AG
Curated by ChEMBL
4SC AG
Curated by ChEMBL
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
TargetIntermediate conductance calcium-activated potassium channel protein 4(Homo sapiens (Human))
4SC AG
Curated by ChEMBL
4SC AG
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(Homo sapiens (Human))
4SC AG
Curated by ChEMBL
4SC AG
Curated by ChEMBL
Affinity DataIC50: 70nMAssay Description:Inhibition of IK1 (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (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
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (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(Homo sapiens (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 DataKd: 73nMAssay Description:Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assayMore 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 DataKd: 1.33E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis CYP130More data for this Ligand-Target Pair
TargetSterol 14-alpha demethylase cyp51A(Neosartorya fumigata (strain ATCC MYA-4609 / Af293...)
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 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: 20nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Lilly Research Laboratories
Curated by ChEMBL
Lilly Research Laboratories
Curated by ChEMBL
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Lilly Research Laboratories
Curated by ChEMBL
Lilly Research Laboratories
Curated by ChEMBL
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children's Research Hospital
Curated by ChEMBL
St. Jude Children's Research Hospital
Curated by ChEMBL
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
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children's Research Hospital
Curated by ChEMBL
St. Jude Children's Research Hospital
Curated by ChEMBL
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
Affinity DataIC50: 8.50E+4nMAssay Description:Compound was tested for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
TargetMalate dehydrogenase, cytoplasmic(Homo sapiens (Human))
Northwestern University
Curated by ChEMBL
Northwestern University
Curated by ChEMBL
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+4nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
TargetIntermediate conductance calcium-activated potassium channel protein 4(Homo sapiens (Human))
4SC AG
Curated by ChEMBL
4SC AG
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