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BDBM279783 US10035804, Example 54

SMILES: C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(N2CC3(CN(C3)C(=O)c3cnn(C)c3)C2)c1C

InChI Key: InChIKey=AJTJAEMYULUCJC-MRXNPFEDSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 279783   
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))
BDBM279783
PNG
(US10035804, Example 54)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(N2CC3(CN(C3)C(=O)c3cnn(C)c3)C2)c1C
Show InChI InChI=1S/C25H25ClN6O2/c1-15-21(30-11-25(12-30)13-31(14-25)23(33)17-7-28-29(3)10-17)8-27-9-22(15)32-16(2)20-6-18(26)4-5-19(20)24(32)34/h4-10,16H,11-14H2,1-3H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 22n/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)


Article DOI: 10.1016/j.bmcl.2005.11.053
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM279783
PNG
(US10035804, Example 54)
Show SMILES C[C@H]1N(C(=O)c2ccc(Cl)cc12)c1cncc(N2CC3(CN(C3)C(=O)c3cnn(C)c3)C2)c1C
Show InChI InChI=1S/C25H25ClN6O2/c1-15-21(30-11-25(12-30)13-31(14-25)23(33)17-7-28-29(3)10-17)8-27-9-22(15)32-16(2)20-6-18(26)4-5-19(20)24(32)34/h4-10,16H,11-14H2,1-3H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 0.00800n/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)


Article DOI: 10.1016/j.bmcl.2005.11.053
More data for this
Ligand-Target Pair