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BDBM279775 US10035804, Example 46

SMILES: CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2ncccc2C#N)C1

InChI Key: InChIKey=GELIQRREZRXSMA-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 = 279775   
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))
BDBM279775
PNG
(US10035804, Example 46)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2ncccc2C#N)C1
Show InChI InChI=1S/C27H23ClN6O2/c1-26(2)22-8-18(28)5-6-21(22)24(35)34(26)20-9-19(11-30-12-20)32-13-27(14-32)15-33(16-27)25(36)23-17(10-29)4-3-7-31-23/h3-9,11-12H,13-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.86n/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))
BDBM279775
PNG
(US10035804, Example 46)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CC2(CN(C2)C(=O)c2ncccc2C#N)C1
Show InChI InChI=1S/C27H23ClN6O2/c1-26(2)22-8-18(28)5-6-21(22)24(35)34(26)20-9-19(11-30-12-20)32-13-27(14-32)15-33(16-27)25(36)23-17(10-29)4-3-7-31-23/h3-9,11-12H,13-16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0380n/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