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BDBM101398 US9695152, 19

SMILES: Cc1ccncc1C(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1

InChI Key: InChIKey=UMTJEJQJTMTCMS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 101398   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM101398
PNG
(US9695152, 19)
Show SMILES Cc1ccncc1C(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C28H28ClN5O2/c1-17-6-7-30-14-23(17)25(35)33-15-28(16-33)10-20(11-28)32-19-9-21(13-31-12-19)34-26(36)22-5-4-18(29)8-24(22)27(34,2)3/h4-9,12-14,20,32H,10-11,15-16H2,1-3H3
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KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 1.09E+4n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM101398
PNG
(US9695152, 19)
Show SMILES Cc1ccncc1C(=O)N1CC2(CC(C2)Nc2cncc(c2)N2C(=O)c3ccc(Cl)cc3C2(C)C)C1
Show InChI InChI=1S/C28H28ClN5O2/c1-17-6-7-30-14-23(17)25(35)33-15-28(16-33)10-20(11-28)32-19-9-21(13-31-12-19)34-26(36)22-5-4-18(29)8-24(22)27(34,2)3/h4-9,12-14,20,32H,10-11,15-16H2,1-3H3
Reactome pathway

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 86n/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...


US Patent US9695152 (2017)


BindingDB Entry DOI: 10.7270/Q2FN14BQ
More data for this
Ligand-Target Pair