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BDBM101415 US9695152, 36

SMILES: CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)C(=O)c2ncccc2Cl)c1

InChI Key: InChIKey=OBHAWASTKKBMCB-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 = 101415   
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))
BDBM101415
PNG
(US9695152, 36)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C27H25ClN6O2/c1-27(2)22-12-17(14-29)5-6-21(22)25(35)34(27)20-13-19(15-30-16-20)32-18-7-10-33(11-8-18)26(36)24-23(28)4-3-9-31-24/h3-6,9,12-13,15-16,18,32H,7-8,10-11H2,1-2H3
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 1.40E+3n/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))
BDBM101415
PNG
(US9695152, 36)
Show SMILES CC1(C)N(C(=O)c2ccc(cc12)C#N)c1cncc(NC2CCN(CC2)C(=O)c2ncccc2Cl)c1
Show InChI InChI=1S/C27H25ClN6O2/c1-27(2)22-12-17(14-29)5-6-21(22)25(35)34(27)20-13-19(15-30-16-20)32-18-7-10-33(11-8-18)26(36)24-23(28)4-3-9-31-24/h3-6,9,12-13,15-16,18,32H,7-8,10-11H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 22n/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