BDBM50174432 1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)ethyl]-4-(3-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinylcarboxamidomethyl}benzylcarbamoyl)hexahydropyridine::CHEMBL198668

SMILES: COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCc1cccc(CNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1

InChI Key: InChIKey=BBFDGHWDPNCAJJ-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 = 50174432   

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))	BDBM50174432 (1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCc1cccc(CNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 Show InChI InChI=1S/C40H50Cl2N6O8/c1-53-35-21-33(43)31(41)19-29(35)39(51)55-16-14-47-10-6-27(7-11-47)37(49)45-23-25-4-3-5-26(18-25)24-46-38(50)28-8-12-48(13-9-28)15-17-56-40(52)30-20-32(42)34(44)22-36(30)54-2/h3-5,18-22,27-28H,6-17,23-24,43-44H2,1-2H3,(H,45,49)(H,46,50)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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