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BDBM191893 US9187429, 21::US9187429, 22::US9187429, 23

SMILES: CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=XZFMYCUAAFYWPO-UHFFFAOYNA-N

Data: 5 EC50

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 5 hits for monomerid = 191893   
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM191893
PNG
(US9187429, 21 | US9187429, 22 | US9187429, 23)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C19H19F3N2O/c1-2-18(25)24-17-5-3-4-14-15(10-23-11-16(14)17)12-6-8-13(9-7-12)19(20,21)22/h6-11,17H,2-5H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 7.09E+3n/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM191893
PNG
(US9187429, 21 | US9187429, 22 | US9187429, 23)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C19H19F3N2O/c1-2-18(25)24-17-5-3-4-14-15(10-23-11-16(14)17)12-6-8-13(9-7-12)19(20,21)22/h6-11,17H,2-5H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 3.69E+3n/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM191893
PNG
(US9187429, 21 | US9187429, 22 | US9187429, 23)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C19H19F3N2O/c1-2-18(25)24-17-5-3-4-14-15(10-23-11-16(14)17)12-6-8-13(9-7-12)19(20,21)22/h6-11,17H,2-5H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 31n/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM191893
PNG
(US9187429, 21 | US9187429, 22 | US9187429, 23)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C19H19F3N2O/c1-2-18(25)24-17-5-3-4-14-15(10-23-11-16(14)17)12-6-8-13(9-7-12)19(20,21)22/h6-11,17H,2-5H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 6.38E+3n/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM191893
PNG
(US9187429, 21 | US9187429, 22 | US9187429, 23)
Show SMILES CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C19H19F3N2O/c1-2-18(25)24-17-5-3-4-14-15(10-23-11-16(14)17)12-6-8-13(9-7-12)19(20,21)22/h6-11,17H,2-5H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 82n/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...


US Patent US9187429 (2015)


BindingDB Entry DOI: 10.7270/Q2668C04
More data for this
Ligand-Target Pair