BDBM50305366 (3aR,6aS)-2-((6-chloropyridin-3-yl)methyl)-5-(6-phenylpyridazin-3-yl)octahydropyrrolo[3,4-c]pyrrole::CHEMBL600054

SMILES: Clc1ccc(CN2C[C@H]3CN(C[C@H]3C2)c2ccc(nn2)-c2ccccc2)cn1

InChI Key: InChIKey=MHYRUAVUYIIOBC-KDURUIRLSA-N

Data: 1 KI  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 = 50305366   

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 (Rattus norvegicus (Rat))	BDBM50305366 ((3aR,6aS)-2-((6-chloropyridin-3-yl)methyl)-5-(6-ph...) Show SMILES Clc1ccc(CN2C[C@H]3CN(C[C@H]3C2)c2ccc(nn2)-c2ccccc2)cn1 |r| Show InChI InChI=1S/C22H22ClN5/c23-21-8-6-16(10-24-21)11-27-12-18-14-28(15-19(18)13-27)22-9-7-20(25-26-22)17-4-2-1-3-5-17/h1-10,18-19H,11-15H2/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]585539 from alpha7 nAChR in rat brain				Bioorg Med Chem Lett 20: 104-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.023 BindingDB Entry DOI: 10.7270/Q2RF5VZQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50305366 ((3aR,6aS)-2-((6-chloropyridin-3-yl)methyl)-5-(6-ph...) Show SMILES Clc1ccc(CN2C[C@H]3CN(C[C@H]3C2)c2ccc(nn2)-c2ccccc2)cn1 |r| Show InChI InChI=1S/C22H22ClN5/c23-21-8-6-16(10-24-21)11-27-12-18-14-28(15-19(18)13-27)22-9-7-20(25-26-22)17-4-2-1-3-5-17/h1-10,18-19H,11-15H2/t18-,19+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes assessed as induction of Ca2+ current				Bioorg Med Chem Lett 20: 104-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.023 BindingDB Entry DOI: 10.7270/Q2RF5VZQ
					More data for this Ligand-Target Pair