BDBM50398963 CHEMBL2179674

SMILES: Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1

InChI Key: InChIKey=IFTYDPUNZQSRIR-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 = 50398963   

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 4 (5-HT4) (Homo sapiens (Human))	BDBM50398963 (CHEMBL2179674) Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1 Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-4-2-3-5-25(22)28-26(24(23)17-29)33-18-20-11-14-30(15-12-20)13-10-19-6-8-21(9-7-19)27(31)32/h2-9,16-17,20H,10-15,18H2,1H3,(H,31,32)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Angelini Santa Palomba Research Center Curated by ChEMBL					Assay Description Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells				J Med Chem 55: 9446-66 (2012) Article DOI: 10.1021/jm300573d BindingDB Entry DOI: 10.7270/Q27082JT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50398963 (CHEMBL2179674) Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1 Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-4-2-3-5-25(22)28-26(24(23)17-29)33-18-20-11-14-30(15-12-20)13-10-19-6-8-21(9-7-19)27(31)32/h2-9,16-17,20H,10-15,18H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Angelini Santa Palomba Research Center Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells				J Med Chem 55: 9446-66 (2012) Article DOI: 10.1021/jm300573d BindingDB Entry DOI: 10.7270/Q27082JT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50398963 (CHEMBL2179674) Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1 Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-4-2-3-5-25(22)28-26(24(23)17-29)33-18-20-11-14-30(15-12-20)13-10-19-6-8-21(9-7-19)27(31)32/h2-9,16-17,20H,10-15,18H2,1H3,(H,31,32)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Angelini Santa Palomba Research Center Curated by ChEMBL					Assay Description Antagonist activity at human 5HT4ER expressed in CHO cells assessed as reduction in cAMP levels				J Med Chem 55: 9446-66 (2012) Article DOI: 10.1021/jm300573d BindingDB Entry DOI: 10.7270/Q27082JT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50398963 (CHEMBL2179674) Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1 Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-4-2-3-5-25(22)28-26(24(23)17-29)33-18-20-11-14-30(15-12-20)13-10-19-6-8-21(9-7-19)27(31)32/h2-9,16-17,20H,10-15,18H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Angelini Santa Palomba Research Center Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 55: 9446-66 (2012) Article DOI: 10.1021/jm300573d BindingDB Entry DOI: 10.7270/Q27082JT
					More data for this Ligand-Target Pair