null

SMILES: OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12

InChI Key: InChIKey=YHNPEPCGBKSLOS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50108591   

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
Histamine H1 receptor (RAT)	BDBM50108591 ((+/-)2-[4-(7-Fluoro-9,10-dihydro-4-thia-10a-aza-be...) Show SMILES OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12 Show InChI InChI=1S/C18H22FN3OS/c19-14-3-4-17-15(12-14)16(13-22-5-1-2-18(22)24-17)21-8-6-20(7-9-21)10-11-23/h1-5,12,16,23H,6-11,13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Half-maximal inhibition of [3H]pyrilamine binding to Histamine H1 receptor in rat frontal cortex homogenate				J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108591 ((+/-)2-[4-(7-Fluoro-9,10-dihydro-4-thia-10a-aza-be...) Show SMILES OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12 Show InChI InChI=1S/C18H22FN3OS/c19-14-3-4-17-15(12-14)16(13-22-5-1-2-18(22)24-17)21-8-6-20(7-9-21)10-11-23/h1-5,12,16,23H,6-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate				J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50108591 ((+/-)2-[4-(7-Fluoro-9,10-dihydro-4-thia-10a-aza-be...) Show SMILES OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12 Show InChI InChI=1S/C18H22FN3OS/c19-14-3-4-17-15(12-14)16(13-22-5-1-2-18(22)24-17)21-8-6-20(7-9-21)10-11-23/h1-5,12,16,23H,6-11,13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Half-maximal inhibition of [3H]-spiperone binding to Dopamine receptor D3 in rat tissue homogenate				J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50108591 ((+/-)2-[4-(7-Fluoro-9,10-dihydro-4-thia-10a-aza-be...) Show SMILES OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12 Show InChI InChI=1S/C18H22FN3OS/c19-14-3-4-17-15(12-14)16(13-22-5-1-2-18(22)24-17)21-8-6-20(7-9-21)10-11-23/h1-5,12,16,23H,6-11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate				J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50108591 ((+/-)2-[4-(7-Fluoro-9,10-dihydro-4-thia-10a-aza-be...) Show SMILES OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12 Show InChI InChI=1S/C18H22FN3OS/c19-14-3-4-17-15(12-14)16(13-22-5-1-2-18(22)24-17)21-8-6-20(7-9-21)10-11-23/h1-5,12,16,23H,6-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate				J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50108591 ((+/-)2-[4-(7-Fluoro-9,10-dihydro-4-thia-10a-aza-be...) Show SMILES OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12 Show InChI InChI=1S/C18H22FN3OS/c19-14-3-4-17-15(12-14)16(13-22-5-1-2-18(22)24-17)21-8-6-20(7-9-21)10-11-23/h1-5,12,16,23H,6-11,13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Half-maximal inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor M1 in rat frontal cortex homogenate				J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26
					More data for this Ligand-Target Pair