BDBM50371981 CHEMBL256694

SMILES: C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12

InChI Key: InChIKey=KNZNKJDEMHGXSO-YFKPBYRVSA-N

Data: 6 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 6 hits for monomerid = 50371981   

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 5A (Homo sapiens (Human))	BDBM50371981 (CHEMBL256694) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8| Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50371981 (CHEMBL256694) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8| Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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 histamine H1 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))	BDBM50371981 (CHEMBL256694) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8| Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	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))	BDBM50371981 (CHEMBL256694) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8| Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	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 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))	BDBM50371981 (CHEMBL256694) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8| Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	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 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 1D (Homo sapiens (Human))	BDBM50371981 (CHEMBL256694) Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8| Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	233	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 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