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BDBM50294063 (3aR,6aR)-4'-(5-Methyl-hexahydro-pyrrolo[3,4-b]pyrrol-1-yl)-biphenyl-4-carbonitrile::CHEMBL563998

SMILES: CN1C[C@H]2CCN([C@H]2C1)c1ccc(cc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=CXRCFQKCULIFAC-HOFUVJEBNA-N

Data: 3 KI

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 3 hits for monomerid = 50294063   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50294063
PNG
((3aR,6aR)-4'-(5-Methyl-hexahydro-pyrrolo[3,4-b]pyr...)
Show SMILES CN1C[C@H]2CCN([C@H]2C1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C20H21N3/c1-22-13-18-10-11-23(20(18)14-22)19-8-6-17(7-9-19)16-4-2-15(12-21)3-5-16/h2-9,18,20H,10-11,13-14H2,1H3/t18-,20+/s2
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Article
PubMed
0.540n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 receptor expressed in C6 cells


J Med Chem 52: 4640-9 (2009)


Article DOI: 10.1021/jm900480x
BindingDB Entry DOI: 10.7270/Q2Z31ZNT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50294063
PNG
((3aR,6aR)-4'-(5-Methyl-hexahydro-pyrrolo[3,4-b]pyr...)
Show SMILES CN1C[C@H]2CCN([C@H]2C1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C20H21N3/c1-22-13-18-10-11-23(20(18)14-22)19-8-6-17(7-9-19)16-4-2-15(12-21)3-5-16/h2-9,18,20H,10-11,13-14H2,1H3/t18-,20+/s2
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PC sid
UniChem

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Article
PubMed
4.57n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamine H3 receptor


J Med Chem 52: 4640-9 (2009)


Article DOI: 10.1021/jm900480x
BindingDB Entry DOI: 10.7270/Q2Z31ZNT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50294063
PNG
((3aR,6aR)-4'-(5-Methyl-hexahydro-pyrrolo[3,4-b]pyr...)
Show SMILES CN1C[C@H]2CCN([C@H]2C1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C20H21N3/c1-22-13-18-10-11-23(20(18)14-22)19-8-6-17(7-9-19)16-4-2-15(12-21)3-5-16/h2-9,18,20H,10-11,13-14H2,1H3/t18-,20+/s2
PDB
MMDB

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
282n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG channel


J Med Chem 52: 4640-9 (2009)


Article DOI: 10.1021/jm900480x
BindingDB Entry DOI: 10.7270/Q2Z31ZNT
More data for this
Ligand-Target Pair