BDBM50388696 CHEMBL2059587

SMILES: CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12

InChI Key: InChIKey=VFMYMJOHTZZBTL-CIAFKFPVSA-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 = 50388696   

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))	BDBM50388696 (CHEMBL2059587) Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL 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
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