BDBM50444549 CHEMBL3099695

SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N

InChI Key InChIKey=USUZGMWDZDXMDG-CYBMUJFWSA-N

Data  30 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50444549   

TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrateMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  6nMAssay Description:Inhibition of human CYP11B1 expressed in Chinese hamster V79 MZh cells using [14C]-deoxycorticosteron as substrate measured after 6 hrs by phosphoima...More data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of CYP11B2 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human aldosterone synthase expressed in V79 MZ cellsMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  856nMAssay Description:Inhibition of CYP19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human CYP11B1 expressed in V79 MZ cellsMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC methodMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC methodMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  3nMAssay Description:Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cellsMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Mus musculus)
Roche Pharma Research And Early Development (Pred)

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  210nMAssay Description:Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Rattus norvegicus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  495nMAssay Description:Inhibition of rat recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  2.5nMAssay Description:Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assayMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Rattus norvegicus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  111nMAssay Description:Inhibition of rat recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assayMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of human CYP19 preincubated for 10 mins followed by protein addition measured after 90 mins by fluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  9nMAssay Description:Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIAMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  22nMAssay Description:Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...More data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...More data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  3nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysisMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
Saarland University And Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  1.59E+3nMAssay Description:Inhibition of CYP19A1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  3.98E+3nMAssay Description:Inhibition of CYP17A1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  2.5nMAssay Description:Inhibition human recombinant CYP11B1 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of human CYP11B2 expressed in Chinese hamster V79 MZh cells using [14C]-deoxycorticosteron as substrate measured after 6 hrs by phosphoima...More data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Guangzhou University Of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50444549(CHEMBL3099695)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrateMore data for this Ligand-Target Pair