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BDBM279789 US10035804, Example 60

SMILES: CCn1cc(cn1)C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C

InChI Key: InChIKey=PGHABQCISGOKII-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 279789   
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))
BDBM279789
PNG
(US10035804, Example 60)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C28H31ClN6O2/c1-4-34-16-19(13-31-34)25(36)33-17-28(18-33)7-9-32(10-8-28)21-12-22(15-30-14-21)35-26(37)23-6-5-20(29)11-24(23)27(35,2)3/h5-6,11-16H,4,7-10,17-18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.892n/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, mitochondrial


(Homo sapiens (human))
BDBM279789
PNG
(US10035804, Example 60)
Show SMILES CCn1cc(cn1)C(=O)N1CC2(C1)CCN(CC2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C28H31ClN6O2/c1-4-34-16-19(13-31-34)25(36)33-17-28(18-33)7-9-32(10-8-28)21-12-22(15-30-14-21)35-26(37)23-6-5-20(29)11-24(23)27(35,2)3/h5-6,11-16H,4,7-10,17-18H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00200n/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