BDBM50451617 CHEMBL4206339

SMILES: Clc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1

InChI Key: InChIKey=ITMCFKRWPAWFGB-OAHLLOKOSA-N

Data: 1 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 2 hits for monomerid = 50451617   

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 3A (Homo sapiens (Human))	BDBM50451617 (CHEMBL4206339) Show SMILES Clc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:7.16,THB:15:7:10.11:14.13,(20.93,-19.2,;19.37,-19.62,;18.98,-21.11,;17.49,-21.52,;16.4,-20.43,;14.86,-20.52,;13.67,-21.49,;12.38,-20.66,;12.68,-22.12,;11.24,-21.46,;9.63,-22.15,;9.42,-20.69,;10.97,-20.02,;11.04,-18.3,;11.51,-19.47,;12.77,-19.17,;14.3,-19.09,;15.5,-18.11,;16.78,-18.95,;18.27,-18.54,)| Show InChI InChI=1S/C15H16ClN3O/c16-11-1-2-13-12(7-11)17-14-19(13)9-15(20-14)8-18-5-3-10(15)4-6-18/h1-2,7,10H,3-6,8-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced calcium flux preincubated for 30 mins p...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451617 (CHEMBL4206339) Show SMILES Clc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:7.16,THB:15:7:10.11:14.13,(20.93,-19.2,;19.37,-19.62,;18.98,-21.11,;17.49,-21.52,;16.4,-20.43,;14.86,-20.52,;13.67,-21.49,;12.38,-20.66,;12.68,-22.12,;11.24,-21.46,;9.63,-22.15,;9.42,-20.69,;10.97,-20.02,;11.04,-18.3,;11.51,-19.47,;12.77,-19.17,;14.3,-19.09,;15.5,-18.11,;16.78,-18.95,;18.27,-18.54,)| Show InChI InChI=1S/C15H16ClN3O/c16-11-1-2-13-12(7-11)17-14-19(13)9-15(20-14)8-18-5-3-10(15)4-6-18/h1-2,7,10H,3-6,8-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair