BDBM50101817 Adalat::Adalat Cc::Afeditab Cr::BAY-A-1040::CHEBI:7565::Nifedipine::Procardia::Procardia Xl

SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC

InChI Key InChIKey=HYIMSNHJOBLJNT-UHFFFAOYSA-N

Data  6 KI  40 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 50101817   

LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataKi:  4.70nMAssay Description:Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))TBA
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataKi: >1.00E+3nMAssay Description:Alpha-1 adrenergic receptor binding affinity was evaluated by its ability to displace [3H]prazosin in rat brain synaptosomesMore data for this Ligand-Target Pair
In DepthDetails
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))TBA
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))TBA
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman methodMore data for this Ligand-Target Pair
In DepthDetails Article
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  260nMAssay 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(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  300nMAssay 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
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  50nMAssay Description:Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  3.06E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  4.08E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C19(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  5.42E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  5.62E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2D6(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMyosin light chain kinase, smooth muscle(Homo sapiens (Human))
Rashtrasant Tukadoji Maharaj Nagpur University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  2.02E+3nMAssay Description:Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium two pore domain channel subfamily K member 2(Bos taurus)
Universit£

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  8.20E+3nMAssay Description:Activation of bovine TREK1 expressed in AZT cells assessed as reduction in channel currentsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  3.70E+4nMAssay 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
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  6.90E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily A member 1(Homo sapiens (Human))
Dublin Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  9.60E+4nMAssay Description:Inhibition of Kv1.1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  1.87E+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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  1.66E+4nMAssay 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
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  6.40E+4nMAssay 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 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
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 ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
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
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  10nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  69nMAssay Description:Inhibition of Calcium channel in Cavia porcellus albino (guinea pig) ileocecal SMC assessed as inhibition of 80 mM KCl-induced contractionMore data for this Ligand-Target Pair
In DepthDetails Article
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  50nMAssay Description:Antagonist activity at Calcium channel in Cavia porcellus (guinea pig) ileal smooth muscle assessed as inhibition of 40 mM KCl-induced contraction co...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  58nMAssay Description:Inhibition of L-type calcium channel in neonatal rat cortical neurons assessed as inhibition of veratridine-induced intracellular calcium level incub...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  28nMAssay Description:Inhibition of L-type calcium channel in Rattus norvegicus Wistar (rat) thoracic aorta assessed as relaxation of phenylephrine-induced vasoconstrictio...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of L-type calcium channel in Rattus norvegicus Wistar (rat) thoracic aorta assessed as relaxation of KCl-induced vasoconstriction after 30...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  2.57nMAssay Description:Inhibition of L-type calcium channel in Rattus norvegicus Wistar (rat) thoracic aorta assessed as relaxation of KCl-induced vasoconstriction after 30...More data for this Ligand-Target Pair
In DepthDetails Article
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  4.72E+5nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.1 uM) in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  28nMAssay Description:Inhibition of L-type calcium channel in Rattus norvegicus Wistar (rat) thoracic aorta assessed as relaxation of phenylephrine-induced vasoconstrictio...More data for this Ligand-Target Pair
In DepthDetails Article
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  2.60nMAssay Description:Antagonist activity at Cavia porcellus albino (guinea pig) calcium channel assessed as inhibition of KCl-induced ileal longitudinal smooth muscle con...More data for this Ligand-Target Pair
In DepthDetails Article
TargetVoltage-dependent L-type calcium channel subunit alpha-1F(Mus musculus)
University Of Brussels

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  1.20E+3nMAssay Description:Antagonist activity at voltage-dependent L-type calcium channel in mouse neurobalstoma-rat glioma NG 108-15 hybrid cells assessed as inhibition of KC...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of voltage-dependent L-type calcium channel in 70 mM K+-induced human SH-SY5Y cells assessed as blocking of depolarization-induced Ca2+ up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PDE1C (147 to 531 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate measured for 15 mins by li...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  55nMAssay 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
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  50nMAssay 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
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  22nMAssay 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
TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  4.54E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  5.05E+4nMAssay Description:Inhibition of human ABCG2 expressed in human HEK293 cells mediated pheophorbide A efflux assessed as intracellular pheophorbide A accumulation for 45...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPotassium channel subfamily K member 2(Homo sapiens (Human))
Korea Institute Of Science And Technology

LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataEC50:  8.18E+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
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50101817(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)
Affinity DataIC50:  3.07E+4nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed