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BDBM336830 US9745289, Compound 4A::US9745289, Compound 4B

SMILES: NC(=O)c1cccc2OC(COc12)c1cccnc1

InChI Key: InChIKey=RTPJEGRWQULDTD-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 336830   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336830
PNG
(US9745289, Compound 4A | US9745289, Compound 4B)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cccnc1
Show InChI InChI=1S/C14H12N2O3/c15-14(17)10-4-1-5-11-13(10)18-8-12(19-11)9-3-2-6-16-7-9/h1-7,12H,8H2,(H2,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 68n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)


Article DOI: 10.1016/j.bmcl.2005.04.079
More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM336830
PNG
(US9745289, Compound 4A | US9745289, Compound 4B)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cccnc1
Show InChI InChI=1S/C14H12N2O3/c15-14(17)10-4-1-5-11-13(10)18-8-12(19-11)9-3-2-6-16-7-9/h1-7,12H,8H2,(H2,15,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)


Article DOI: 10.1016/j.bmcl.2005.04.079
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM336830
PNG
(US9745289, Compound 4A | US9745289, Compound 4B)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cccnc1
Show InChI InChI=1S/C14H12N2O3/c15-14(17)10-4-1-5-11-13(10)18-8-12(19-11)9-3-2-6-16-7-9/h1-7,12H,8H2,(H2,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)


Article DOI: 10.1016/j.bmcl.2005.04.079
More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM336830
PNG
(US9745289, Compound 4A | US9745289, Compound 4B)
Show SMILES NC(=O)c1cccc2OC(COc12)c1cccnc1
Show InChI InChI=1S/C14H12N2O3/c15-14(17)10-4-1-5-11-13(10)18-8-12(19-11)9-3-2-6-16-7-9/h1-7,12H,8H2,(H2,15,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assays are performed in 96-well format in a final volume of 60 μL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additi...


US Patent US9745289 (2017)


Article DOI: 10.1016/j.bmcl.2005.04.079
More data for this
Ligand-Target Pair