BDBM50144839 (S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine::CHEMBL80731

SMILES: CCSc1cc2N(C[C@H](C)N)CCc2cc1F

InChI Key: InChIKey=KAWSTPLVSKOAGD-VIFPVBQESA-N

Data: 3 KI  3 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 6 hits for monomerid = 50144839   

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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144839 ((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...) Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50144839 ((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...) Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50144839 ((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...) Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50144839 ((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...) Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50144839 ((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...) Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	181	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144839 ((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...) Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair