BDBM50399782 CHEMBL2179872

SMILES: Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1

InChI Key: InChIKey=DIPCYWZEQFODFH-YFDVCBNHNA-N

Data: 2 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 3 hits for monomerid = 50399782   

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))	BDBM50399782 (CHEMBL2179872) Show SMILES Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 Show InChI InChI=1/C21H25N3OS/c1-15-8-12-26-19(15)4-5-20(25)23-21-17-6-10-24(11-7-17)18(21)13-16-3-2-9-22-14-16/h2-5,8-9,12,14,17-18,21H,6-7,10-11,13H2,1H3,(H,23,25)/b5-4+/t18-,21+/s2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50399782 (CHEMBL2179872) Show SMILES Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 Show InChI InChI=1/C21H25N3OS/c1-15-8-12-26-19(15)4-5-20(25)23-21-17-6-10-24(11-7-17)18(21)13-16-3-2-9-22-14-16/h2-5,8-9,12,14,17-18,21H,6-7,10-11,13H2,1H3,(H,23,25)/b5-4+/t18-,21+/s2	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50399782 (CHEMBL2179872) Show SMILES Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 Show InChI InChI=1/C21H25N3OS/c1-15-8-12-26-19(15)4-5-20(25)23-21-17-6-10-24(11-7-17)18(21)13-16-3-2-9-22-14-16/h2-5,8-9,12,14,17-18,21H,6-7,10-11,13H2,1H3,(H,23,25)/b5-4+/t18-,21+/s2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Targacept Inc Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair