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SMILES: N[C@@H]1CCN(C1)c1nc2ncc(Cl)cc2n2cnnc12

InChI Key: InChIKey=UKFUSIFHDFKEEM-MRVPVSSYSA-N

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 3 hits for monomerid = 294440   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM294440
PNG
(US9586959, Compound 30)
Show SMILES N[C@@H]1CCN(C1)c1nc2ncc(Cl)cc2n2cnnc12 |r|
Show InChI InChI=1S/C12H12ClN7/c13-7-3-9-10(15-4-7)17-11(12-18-16-6-20(9)12)19-2-1-8(14)5-19/h3-4,6,8H,1-2,5,14H2/t8-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+8n/an/an/an/a7.427



C&C RESEARCH LABORATORIES

US Patent


Assay Description
Each compound of the present invention prepared in the examples was prepared in DMSO into concentrations of 0.02, 0.06, 0.3 and 2 mM. 10 uL of the pr...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM294440
PNG
(US9586959, Compound 30)
Show SMILES N[C@@H]1CCN(C1)c1nc2ncc(Cl)cc2n2cnnc12 |r|
Show InChI InChI=1S/C12H12ClN7/c13-7-3-9-10(15-4-7)17-11(12-18-16-6-20(9)12)19-2-1-8(14)5-19/h3-4,6,8H,1-2,5,14H2/t8-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294440
PNG
(US9586959, Compound 30)
Show SMILES N[C@@H]1CCN(C1)c1nc2ncc(Cl)cc2n2cnnc12 |r|
Show InChI InChI=1S/C12H12ClN7/c13-7-3-9-10(15-4-7)17-11(12-18-16-6-20(9)12)19-2-1-8(14)5-19/h3-4,6,8H,1-2,5,14H2/t8-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair