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BDBM279740 US10035804, Example 11

SMILES: Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N

InChI Key: InChIKey=DQWFZWCAFJPZLT-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 = 279740   
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))
BDBM279740
PNG
(US10035804, Example 11)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-8-17(10-27)4-5-20(21)23(34)33(25)19-9-18(11-28-12-19)31-13-26(14-31)15-32(16-26)24(35)22-29-6-7-30(22)3/h4-9,11-12H,13-16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.76n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279740
PNG
(US10035804, Example 11)
Show SMILES Cn1ccnc1C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Show InChI InChI=1S/C26H25N7O2/c1-25(2)21-8-17(10-27)4-5-20(21)23(34)33(25)19-9-18(11-28-12-19)31-13-26(14-31)15-32(16-26)24(35)22-29-6-7-30(22)3/h4-9,11-12H,13-16H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0250n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...


US Patent US10035804 (2018)

More data for this
Ligand-Target Pair