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BDBM200318 US9227956, 3

SMILES: Cc1cnc2n(nnc2c1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl

InChI Key: InChIKey=CZJIXNHTVSHQML-GOSISDBHSA-N

Data: 1 KI  1 IC50

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 = 200318   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM200318
PNG
(US9227956, 3)
Show SMILES Cc1cnc2n(nnc2c1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
Show InChI InChI=1S/C23H22ClN7O/c1-15-12-20-22(27-13-15)31(29-28-20)17-8-6-16(7-9-17)23(32)30(18-4-2-10-25-14-18)21-19(24)5-3-11-26-21/h3,5-9,11-13,18,25H,2,4,10,14H2,1H3/t18-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG by fluorescence polarization assay


J Med Chem 61: 5704-5718 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00650
BindingDB Entry DOI: 10.7270/Q28C9ZRR
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9 (PCSK9)


(Homo sapiens (Human))
BDBM200318
PNG
(US9227956, 3)
Show SMILES Cc1cnc2n(nnc2c1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
Show InChI InChI=1S/C23H22ClN7O/c1-15-12-20-22(27-13-15)31(29-28-20)17-8-6-16(7-9-17)23(32)30(18-4-2-10-25-14-18)21-19(24)5-3-11-26-21/h3,5-9,11-13,18,25H,2,4,10,14H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
An in-vitro AlphaLISA assay (Perkin Elmer) was developed in order to quantitate the level of PCSK9 secreted into the cell culture media following com...


US Patent US9227956 (2016)


BindingDB Entry DOI: 10.7270/Q20R9N7M
More data for this
Ligand-Target Pair