BDBM50211197 CHEMBL3951064

SMILES: [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1

InChI Key: InChIKey=OZMMPPFQKQDOQW-BMIGLBTASA-N

Data: 1 IC50  2 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 = 50211197   

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))	BDBM50211197 (CHEMBL3951064) Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1 |r,t:11,TLB:21:7:5:3.2| Show InChI InChI=1S/C15H16N4OS/c1-2-4-12-11(3-1)17-14(21-12)18-13-16-8-15(20-13)9-19-6-5-10(15)7-19/h1-4,10H,5-9H2,(H,16,17,18)/t10-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50211197 (CHEMBL3951064) Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1 |r,t:11,TLB:21:7:5:3.2| Show InChI InChI=1S/C15H16N4OS/c1-2-4-12-11(3-1)17-14(21-12)18-13-16-8-15(20-13)9-19-6-5-10(15)7-19/h1-4,10H,5-9H2,(H,16,17,18)/t10-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Partial agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 at holding potential of -90 mV by whole-cell voltage ...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211197 (CHEMBL3951064) Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1 |r,t:11,TLB:21:7:5:3.2| Show InChI InChI=1S/C15H16N4OS/c1-2-4-12-11(3-1)17-14(21-12)18-13-16-8-15(20-13)9-19-6-5-10(15)7-19/h1-4,10H,5-9H2,(H,16,17,18)/t10-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair