BDBM50534289 CHEMBL4535466

SMILES: Oc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2

InChI Key: InChIKey=ZRCMYKLGYHVJGO-HNNXBMFYSA-N

Data: 3 KI

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 = 50534289   

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 protein alpha-7 subunit (Homo sapiens (Human))	BDBM50534289 (CHEMBL4535466) Show SMILES Oc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:12.13,THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)| Show InChI InChI=1S/C15H18N4O/c20-13-3-1-11(2-4-13)14-9-19(17-16-14)15-10-18-7-5-12(15)6-8-18/h1-4,9,12,15,20H,5-8,10H2/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]MLA from human alpha7 nAChR transfected in human SH-SY5Y cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50534289 (CHEMBL4535466) Show SMILES Oc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:12.13,THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)| Show InChI InChI=1S/C15H18N4O/c20-13-3-1-11(2-4-13)14-9-19(17-16-14)15-10-18-7-5-12(15)6-8-18/h1-4,9,12,15,20H,5-8,10H2/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50534289 (CHEMBL4535466) Show SMILES Oc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:12.13,THB:9:12:15.16:19.18,(23.93,-41.63,;22.38,-41.63,;21.61,-42.96,;20.07,-42.95,;19.31,-41.61,;20.07,-40.28,;21.61,-40.28,;17.76,-41.61,;16.72,-42.74,;15.32,-42.09,;15.5,-40.56,;17.01,-40.26,;13.97,-42.84,;13.77,-44.23,;12.24,-43.57,;10.87,-44.2,;11.15,-42.81,;12.5,-42.2,;12.43,-40.56,;11.98,-41.67,)| Show InChI InChI=1S/C15H18N4O/c20-13-3-1-11(2-4-13)14-9-19(17-16-14)15-10-18-7-5-12(15)6-8-18/h1-4,9,12,15,20H,5-8,10H2/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146
					More data for this Ligand-Target Pair