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BDBM279728 5-Chloro-3,3-dimethyl-2-[5-[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]-heptan-6-yl]-3-pyridyl]isoindolin-1-one::US10035804, Example 1

SMILES: Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C

InChI Key: InChIKey=XPPRAIYPPOVBQQ-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 279728   
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))
BDBM279728
PNG
(5-Chloro-3,3-dimethyl-2-[5-[2-(1-methylpyrazole-4-...)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)21-6-17(26)4-5-20(21)23(34)32(24)19-7-18(9-27-10-19)30-12-25(13-30)14-31(15-25)22(33)16-8-28-29(3)11-16/h4-11H,12-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 11.3n/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))
BDBM279728
PNG
(5-Chloro-3,3-dimethyl-2-[5-[2-(1-methylpyrazole-4-...)
Show SMILES Cn1cc(cn1)C(=O)N1CC2(C1)CN(C2)c1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C
Show InChI InChI=1S/C25H25ClN6O2/c1-24(2)21-6-17(26)4-5-20(21)23(34)32(24)19-7-18(9-27-10-19)30-12-25(13-30)14-31(15-25)22(33)16-8-28-29(3)11-16/h4-11H,12-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
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