BDBM21363 12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene::8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine::CHEMBL655::Dormicum::Midazolam::Ro 21-3981::US20230416258, Compound Midazolam

SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12

InChI Key InChIKey=DDLIGBOFAVUZHB-UHFFFAOYSA-N

Data  4 KI  17 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 21363   

TargetTranslocator protein(Rat)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataKi:  2nMAssay Description:Binding affinity of the compound was determined against rat benzodiazepine (BZD) receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataKi:  26nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Human)
Sanofi

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataKi:  2.47E+3nMAssay Description:Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assayMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataKi:  3.70E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Human)
Sanofi

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50: >5.00E+4nMAssay 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(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50: >5.00E+4nMAssay 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(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50: >5.00E+4nMAssay 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
TargetCytochrome P450 3A4(Human)
Sanofi

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  3.30E+4nMAssay 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
TargetATP-dependent translocase ABCB1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50: >5.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  4.17E+4nMAssay 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
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  4.17E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  4.17E+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
TargetCytochrome P450 3A4(Human)
Sanofi

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  62nMAssay Description:Inhibition of CYP3A4M (unknown origin)More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Human)
China Pharmaceutical University

US Patent
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  7.09E+3nMAssay Description:In this experiment, IC50 was calculated by detecting the effect of compounds at 8 concentrations on the current of the hERG channel. The procedures w...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetUDP-glucuronosyltransferase 2B10(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  1.06E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  1.47E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1-6(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  2.30E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Sanofi

Curated by ChEMBL
LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  66nMAssay Description:Inhibition of CYP3A4M in human liver microsomes incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
TargetUDP-glucuronosyltransferase 1A1(Human)
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

LigandPNGBDBM21363(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Affinity DataIC50:  2.60E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed