BDBM50451609 CHEMBL4204902

SMILES: Clc1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12

InChI Key: InChIKey=KFHHEMDBDLHCIO-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 = 50451609   

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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451609 (CHEMBL4204902) Show SMILES Clc1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:8.17,THB:16:8:11.12:15.14,(20.27,-18.08,;19.86,-19.64,;20.96,-20.73,;20.57,-22.22,;19.09,-22.63,;17.99,-21.54,;16.46,-21.63,;15.26,-22.59,;13.98,-21.77,;14.28,-23.23,;12.84,-22.57,;11.23,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,;14.37,-20.28,;15.9,-20.19,;17.09,-19.22,;18.38,-20.05,)| Show InChI InChI=1S/C15H16ClN3O/c16-11-2-1-3-12-13(11)17-14-19(12)9-15(20-14)8-18-6-4-10(15)5-7-18/h1-3,10H,4-9H2/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	16	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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50451609 (CHEMBL4204902) Show SMILES Clc1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:8.17,THB:16:8:11.12:15.14,(20.27,-18.08,;19.86,-19.64,;20.96,-20.73,;20.57,-22.22,;19.09,-22.63,;17.99,-21.54,;16.46,-21.63,;15.26,-22.59,;13.98,-21.77,;14.28,-23.23,;12.84,-22.57,;11.23,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,;14.37,-20.28,;15.9,-20.19,;17.09,-19.22,;18.38,-20.05,)| Show InChI InChI=1S/C15H16ClN3O/c16-11-2-1-3-12-13(11)17-14-19(12)9-15(20-14)8-18-6-4-10(15)5-7-18/h1-3,10H,4-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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