BDBM50371996 CHEMBL541993

SMILES: C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12

InChI Key: InChIKey=JDPGHZDOBUGUDU-LURJTMIESA-N

Data: 8 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 8 hits for monomerid = 50371996   

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
HTR5A (RAT)	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to rat 5HT5A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT5A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT7 receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT1D receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50371996 (CHEMBL541993) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8| Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT6 receptor				Bioorg Med Chem Lett 18: 262-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.078 BindingDB Entry DOI: 10.7270/Q2FJ2HNN
					More data for this Ligand-Target Pair