BDBM50416668 CHEMBL1222552

SMILES: C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12

InChI Key: InChIKey=NSRMKMSTPLJNHM-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50416668   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic Alpha-1B receptor assessed as intracellular calcium luminescence by cell based aequorin assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic alpha1A receptor assessed as intracellular calcium luminescence by cell based aequorin assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50416668 (CHEMBL1222552) Show SMILES C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7| Show InChI InChI=1S/C16H18N4/c1-2-4-14-12-20-10-7-18-16(20)15(11-13(14)3-1)19-8-5-17-6-9-19/h1-4,7,10-11,17H,5-6,8-9,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay				Bioorg Med Chem Lett 20: 5069-73 (2010) Article DOI: 10.1016/j.bmcl.2010.07.029 BindingDB Entry DOI: 10.7270/Q20R9QNT
					More data for this Ligand-Target Pair