BDBM50174415 1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)ethyl]-4-(3-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinylcarboxamido}propylcarbamoyl)hexahydropyridine::CHEMBL198921

SMILES: COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1

InChI Key: InChIKey=JXJVCKCALNXXAJ-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 = 50174415   

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))	BDBM50174415 (1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-5-22(6-12-42)32(45)40-8-2-7-39-31(44)21-3-9-41(10-4-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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