BDBM50108306 (S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine::(S)-2-(5,6-Difluoro-indol-1-yl)-1-methyl-ethylamine::CHEMBL40726

SMILES: C[C@H](N)Cn1ccc2cc(F)c(F)cc12

InChI Key: InChIKey=MYZDBEVPJGKIQS-ZETCQYMHSA-N

Data: 12 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 13 hits for monomerid = 50108306   

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))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Texas Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting				Bioorg Med Chem 18: 4783-92 (2011) Article DOI: 10.1016/j.bmc.2010.05.017 BindingDB Entry DOI: 10.7270/Q2V69KJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB				J Med Chem 40: 2762-9 (1997) Article DOI: 10.1021/jm970030l BindingDB Entry DOI: 10.7270/Q270845Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards human 5-hydroxytryptamine 2C receptor using [3H]-DOB as radioligand				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-DOB from human 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards human 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards human 5-hydroxytryptamine 2C receptor using [3H]-5-HT as radioligand				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards human 5-hydroxytryptamine 2C receptor using [3H]-Mesulergine as radioligand				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Texas Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting				Bioorg Med Chem 18: 4783-92 (2011) Article DOI: 10.1016/j.bmc.2010.05.017 BindingDB Entry DOI: 10.7270/Q2V69KJ2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]5-HT				J Med Chem 40: 2762-9 (1997) Article DOI: 10.1021/jm970030l BindingDB Entry DOI: 10.7270/Q270845Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-DOB from human 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 formation in vitro in choroid plexus of the rat				J Med Chem 40: 2762-9 (1997) Article DOI: 10.1021/jm970030l BindingDB Entry DOI: 10.7270/Q270845Q
					More data for this Ligand-Target Pair