BDBM50162959 (11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibenzo[e,h]azulen-2-ylmethyl)-dimethyl-amine::CHEMBL366164

SMILES: CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21

InChI Key: InChIKey=BSOLCASXROXPRZ-MUKKUYKPSA-N

Data: 10 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 10 hits for monomerid = 50162959   

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 (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-mesulergine binding to human 5-hydroxytryptamine 2C receptor				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [125I]-R91150 binding to human 5-hydroxytryptamine 2A receptor				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT binding to human 5-hydroxytryptamine 7 receptor				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone binding to human Dopamine receptor D2				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [125I]-iodosulpride binding to human Dopamine receptor D3				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH-23,390 binding to human Dopamine receptor D1				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-nisoxetine binding to rat Norepinephrine transpoter				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-rauwolscine binding to Alpha-2C adrenergic receptor				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50162959 ((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...) Show SMILES CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21 Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of [3H]-rauwolscine binding to Alpha-2A adrenergic receptor				J Med Chem 48: 1709-12 (2005) Article DOI: 10.1021/jm049632c BindingDB Entry DOI: 10.7270/Q2MC8ZHB
					More data for this Ligand-Target Pair