BDBM50436989 CHEMBL2402904

SMILES: COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1

InChI Key: InChIKey=MZOITCJKGUIQEI-UHFFFAOYSA-N

Data: 1 KI  3 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 = 50436989   

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))	BDBM50436989 (CHEMBL2402904) Show SMILES COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1 Show InChI InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5HT3 receptor				Bioorg Med Chem Lett 23: 4210-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.018 BindingDB Entry DOI: 10.7270/Q2F47QJJ
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50436989 (CHEMBL2402904) Show SMILES COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1 Show InChI InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP level after 4 hrs by luciferase reporter gene assay				Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST
					More data for this Ligand-Target Pair
Serotonin 4 (5-HT4) receptor (GUINEA PIG)	BDBM50436989 (CHEMBL2402904) Show SMILES COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1 Show InChI InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in guinea pig colon				Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50436989 (CHEMBL2402904) Show SMILES COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1 Show InChI InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Induction of 5-HT4 receptor-mediated contraction in guinea pig longitudinal muscle myenteric plexus				Bioorg Med Chem Lett 23: 4210-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.018 BindingDB Entry DOI: 10.7270/Q2F47QJJ
					More data for this Ligand-Target Pair