BDBM50455956 CHEMBL2114412

SMILES: OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2

InChI Key: InChIKey=BSJPEVJQGCGHHE-QDSMGTAFSA-N

Data: 2 Kd

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 2 hits for monomerid = 50455956   

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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50455956 (CHEMBL2114412) Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)| Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.				J Med Chem 35: 1515-20 (1992) BindingDB Entry DOI: 10.7270/Q24B32SK
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50455956 (CHEMBL2114412) Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)| Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.				J Med Chem 35: 1515-20 (1992) BindingDB Entry DOI: 10.7270/Q24B32SK
					More data for this Ligand-Target Pair