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Compile Data Set for Download or QSAR

Found 11 hits of non-affinity data for polymerid = 1023,50000926,50006986   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8930
PNG
(4-(6-Methoxy-2-naphthyl)pyridine | 4-(6-methoxynap...)
Show SMILES COc1ccc2cc(ccc2c1)-c1ccncc1
Show InChI InChI=1S/C16H13NO/c1-18-16-5-4-14-10-13(2-3-15(14)11-16)12-6-8-17-9-7-12/h2-11H,1H3
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8926
PNG
(2-(pyridin-3-yl)quinoline | 2-Pyridin-3-yl-quinoli...)
Show SMILES c1ccc2nc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C14H10N2/c1-2-6-13-11(4-1)7-8-14(16-13)12-5-3-9-15-10-12/h1-10H
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8928
PNG
(5-(2-Naphthyl)-1,3-oxazole | 5-(naphthalen-2-yl)-1...)
Show SMILES c1ncc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C13H9NO/c1-2-4-11-7-12(6-5-10(11)3-1)13-8-14-9-15-13/h1-9H
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8929
PNG
(5-(6-Methoxy-2-naphthyl)pyrimidine | 5-(6-methoxyn...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C15H12N2O/c1-18-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16-10-17-9-14/h2-10H,1H3
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8927
PNG
(2-(pyridin-3-yl)quinoxaline | 2-Pyridin-3-yl-quino...)
Show SMILES c1ccc2nc(cnc2c1)-c1cccnc1
Show InChI InChI=1S/C13H9N3/c1-2-6-12-11(5-1)15-9-13(16-12)10-4-3-7-14-8-10/h1-9H
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8925
PNG
(3-(pyridin-3-yl)quinoline | 3-Pyridin-3-yl-quinoli...)
Show SMILES c1ccc2ncc(cc2c1)-c1cccnc1
Show InChI InChI=1S/C14H10N2/c1-2-6-14-11(4-1)8-13(10-16-14)12-5-3-7-15-9-12/h1-10H
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8923
PNG
(6-(pyridin-3-yl)naphthalene-2-carboxamide | 6-Pyri...)
Show SMILES NC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C16H12N2O/c17-16(19)14-6-5-11-8-13(4-3-12(11)9-14)15-2-1-7-18-10-15/h1-10H,(H2,17,19)
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8924
PNG
(N-Methyl-6-pyridin-3-yl-2-naphthamide | N-methyl-6...)
Show SMILES CNC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C17H14N2O/c1-18-17(20)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-19-11-16/h2-11H,1H3,(H,18,20)
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8921
PNG
(3-(2-methoxy-6-pyridin-3-yl-1-naphthyl)pyridine | ...)
Show SMILES COc1ccc2cc(ccc2c1-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C21H16N2O/c1-24-20-9-7-16-12-15(17-4-2-10-22-13-17)6-8-19(16)21(20)18-5-3-11-23-14-18/h2-14H,1H3
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8922
PNG
(3-(3-Methoxy-2-naphthyl)pyridine | 3-(3-methoxynap...)
Show SMILES COc1cc2ccccc2cc1-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-10-13-6-3-2-5-12(13)9-15(16)14-7-4-8-17-11-14/h2-11H,1H3
PDB

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n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8920
PNG
(3-[6-(Benzyloxy)-2-naphthyl]pyridine | 3-[6-(benzy...)
Show SMILES C(Oc1ccc2cc(ccc2c1)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C22H17NO/c1-2-5-17(6-3-1)16-24-22-11-10-18-13-19(8-9-20(18)14-22)21-7-4-12-23-15-21/h1-15H,16H2
PDB

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PubMed
n/an/an/an/an/an/an/a7.437



Saarland University



Assay Description
The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...


J Med Chem 48: 6632-42 (2005)

More data for this
Ligand-Target Pair