BDBM50174421 1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]-4-(2-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinylmethylcarbamoyl}ethylcarboxamidomethyl)hexahydropyridine::CHEMBL196633

SMILES: COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1

InChI Key: InChIKey=YYYYKGQJCSSGFI-UHFFFAOYSA-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 = 50174421   

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))	BDBM50174421 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C36H50Cl2N6O8/c1-49-31-19-29(39)27(37)17-25(31)35(47)51-15-13-43-9-5-23(6-10-43)21-41-33(45)3-4-34(46)42-22-24-7-11-44(12-8-24)14-16-52-36(48)26-18-28(38)30(40)20-32(26)50-2/h17-20,23-24H,3-16,21-22,39-40H2,1-2H3,(H,41,45)(H,42,46)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair