BDBM50142913 CHEMBL3759601

SMILES: CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC

InChI Key: InChIKey=OTIXSIXXUWNLFA-FUHWJXTLSA-N

Data: 2 IC50  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 3 hits for monomerid = 50142913   

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))	BDBM50142913 (CHEMBL3759601) Show SMILES CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C19H27ClN6O3/c1-28-17-9-15(21)14(20)8-13(17)19(27)24-16-4-7-25(10-18(16)29-2)5-3-6-26-12-22-11-23-26/h8-9,11-12,16,18H,3-7,10,21H2,1-2H3,(H,24,27)/t16-,18+/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation c...				Eur J Med Chem 109: 75-88 (2016) BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
HTR4 (RAT)	BDBM50142913 (CHEMBL3759601) Show SMILES CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C19H27ClN6O3/c1-28-17-9-15(21)14(20)8-13(17)19(27)24-16-4-7-25(10-18(16)29-2)5-3-6-26-12-22-11-23-26/h8-9,11-12,16,18H,3-7,10,21H2,1-2H3,(H,24,27)/t16-,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	708	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50142913 (CHEMBL3759601) Show SMILES CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C19H27ClN6O3/c1-28-17-9-15(21)14(20)8-13(17)19(27)24-16-4-7-25(10-18(16)29-2)5-3-6-26-12-22-11-23-26/h8-9,11-12,16,18H,3-7,10,21H2,1-2H3,(H,24,27)/t16-,18+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human ERG channel by fluorescence polarization assay				Eur J Med Chem 109: 75-88 (2016) BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair