BDBM50454685 CHEMBL2112660

SMILES: CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12

InChI Key: InChIKey=NBZSOFCUUKJUJF-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50454685   

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 1B (Homo sapiens (Human))	BDBM50454685 (CHEMBL2112660) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12 Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50454685 (CHEMBL2112660) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12 Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50454685 (CHEMBL2112660) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12 Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50454685 (CHEMBL2112660) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12 Show InChI InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation				J Med Chem 40: 3974-8 (1998) Article DOI: 10.1021/jm9703552 BindingDB Entry DOI: 10.7270/Q2FT8K57
					More data for this Ligand-Target Pair