BDBM50174416 1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]-4-{2-[2-(3-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinylcarboxamido}propoxy)ethoxy]ethoxymethylcarbamoyl}hexahydropyridine::CHEMBL370796

SMILES: COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCOCCOCCOCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1

InChI Key: InChIKey=XZGPLQDAIFWZGA-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 = 50174416   

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))	BDBM50174416 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCOCCOCCOCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C40H58Cl2N6O11/c1-53-35-24-33(43)31(41)22-29(35)39(51)58-16-13-47-9-4-27(5-10-47)37(49)45-8-3-15-55-18-19-56-20-21-57-26-46-38(50)28-6-11-48(12-7-28)14-17-59-40(52)30-23-32(42)34(44)25-36(30)54-2/h22-25,27-28H,3-21,26,43-44H2,1-2H3,(H,45,49)(H,46,50)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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