BDBM50388695 CHEMBL2059586

SMILES: CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCN(CC2)S(C)(=O)=O)c2ccccc12

InChI Key: InChIKey=ZHTVCYAAJGXYQW-QEIWAGNOSA-N

Data: 1 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 1 hit for monomerid = 50388695   

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))	BDBM50388695 (CHEMBL2059586) Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C29H46N6O3S/c1-22(2)35-27-11-7-6-10-26(27)28(31-35)29(36)30-23-20-24-12-13-25(21-23)34(24)15-9-5-4-8-14-32-16-18-33(19-17-32)39(3,37)38/h6-7,10-11,22-25H,4-5,8-9,12-21H2,1-3H3,(H,30,36)/t23-,24+,25-	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 4849-53 (2012) Article DOI: 10.1016/j.bmcl.2012.05.034 BindingDB Entry DOI: 10.7270/Q20V8DVF
					More data for this Ligand-Target Pair