BDBM50150413 CHEMBL413049::N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[(S)-1-(4-fluoro-phenyl)-ethyl]-[1,3,5]triazine-2,4,6-triamine

SMILES: C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1

InChI Key: InChIKey=RCELUXDYJXBIDG-LBPRGKRZSA-N

Data: 3 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 3 hits for monomerid = 50150413   

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 7 (Homo sapiens (Human))	BDBM50150413 (CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 7 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50150413 (CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 2C receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50150413 (CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...) Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxy tryptamine 6 receptor				Bioorg Med Chem Lett 14: 4245-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.008 BindingDB Entry DOI: 10.7270/Q2GM86RJ
					More data for this Ligand-Target Pair