BDBM29531 ML10302 scaffold, 9{b;w}

SMILES: COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc(C)cc2)CC1

InChI Key: InChIKey=KBSJXJIYSRYJSD-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 29531   

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))	BDBM29531 (ML10302 scaffold, 9{b;w}) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C27H37ClN4O6S/c1-19-5-7-21(8-6-19)39(35,36)31-11-3-4-26(33)30-18-20-9-12-32(13-10-20)14-15-38-27(34)22-16-23(28)24(29)17-25(22)37-2/h5-8,16-17,20,31H,3-4,9-15,18,29H2,1-2H3,(H,30,33)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-11.9	n/a	n/a	68	n/a	n/a	7.4	25
CNRS					Assay Description Radioligand binding studies were performed in buffer contains test compound, [3H]-GR113808, and receptor C6 glial cell membrane preparation. Nonspeci...				J Med Chem 52: 2214-25 (2009) Article DOI: 10.1021/jm801327q BindingDB Entry DOI: 10.7270/Q2QF8R6F
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