BDBM50301291 4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5,8-pentaaza-cyclohept a[e]indene::CHEMBL565547

SMILES: Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1

InChI Key: InChIKey=QGJVXXSJZAPJME-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50301291   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50301291 (4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...) Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1 Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of 5HT3 receptor				Bioorg Med Chem Lett 19: 4999-5003 (2009) Article DOI: 10.1016/j.bmcl.2009.07.063 BindingDB Entry DOI: 10.7270/Q29C6XHC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301291 (4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...) Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1 Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of beta2 adrenergic receptor				Bioorg Med Chem Lett 19: 4999-5003 (2009) Article DOI: 10.1016/j.bmcl.2009.07.063 BindingDB Entry DOI: 10.7270/Q29C6XHC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50301291 (4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...) Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1 Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of muscarinic receptor 3				Bioorg Med Chem Lett 19: 4999-5003 (2009) Article DOI: 10.1016/j.bmcl.2009.07.063 BindingDB Entry DOI: 10.7270/Q29C6XHC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50301291 (4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...) Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1 Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of dofrtilide from human ERG channel				Bioorg Med Chem Lett 19: 4999-5003 (2009) Article DOI: 10.1016/j.bmcl.2009.07.063 BindingDB Entry DOI: 10.7270/Q29C6XHC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Canis familiaris)	BDBM50301291 (4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...) Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1 Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor in dog bladder strip				Bioorg Med Chem Lett 19: 4999-5003 (2009) Article DOI: 10.1016/j.bmcl.2009.07.063 BindingDB Entry DOI: 10.7270/Q29C6XHC
					More data for this Ligand-Target Pair