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BDBM330381 US9725436, Entry 1

SMILES: NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1

InChI Key: InChIKey=LEYMDIOZOMLNOX-OWOJBTEDSA-N

Data: 3 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 3 hits for monomerid = 330381   
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-C17 (CYP17A1)


(Bos taurus (Bovine))
BDBM330381
PNG
(US9725436, Entry 1)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp21 assay protocol: AD293 cells that stably over-express recombinant CYP-21 were seeded in 96 well plates coated with poly D-lysine (10,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330381
PNG
(US9725436, Entry 1)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+3n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450-C17 (CYP17A1)


(Bos taurus (Bovine))
BDBM330381
PNG
(US9725436, Entry 1)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp17 assay protocol: AD293 cells that stably over-express recombinant CYP-17 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair