Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 309.4 BDBM50473511

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50473511 (CHEMBL159536) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Cc3n[nH]c(C)n3)cc12 |wU:5.7,wD:3.2,(17.25,-10.91,;15.75,-10.6,;14.73,-11.75,;15.26,-9.14,;15.96,-7.77,;14.59,-7.08,;13.89,-8.46,;14.1,-5.62,;15.01,-4.38,;14.08,-3.13,;12.63,-3.62,;11.29,-2.85,;9.96,-3.63,;9.96,-5.17,;8.62,-5.94,;8.62,-7.46,;9.88,-8.37,;9.4,-9.84,;7.86,-9.84,;6.95,-11.09,;7.39,-8.37,;11.29,-5.94,;12.63,-5.16,)| Show InChI InChI=1S/C18H23N5/c1-11-20-18(22-21-11)7-12-4-5-17-15(6-12)16(10-19-17)13-8-14(9-13)23(2)3/h4-6,10,13-14,19H,7-9H2,1-3H3,(H,20,21,22)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50473511 (CHEMBL159536) Show SMILES CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Cc3n[nH]c(C)n3)cc12 |wU:5.7,wD:3.2,(17.25,-10.91,;15.75,-10.6,;14.73,-11.75,;15.26,-9.14,;15.96,-7.77,;14.59,-7.08,;13.89,-8.46,;14.1,-5.62,;15.01,-4.38,;14.08,-3.13,;12.63,-3.62,;11.29,-2.85,;9.96,-3.63,;9.96,-5.17,;8.62,-5.94,;8.62,-7.46,;9.88,-8.37,;9.4,-9.84,;7.86,-9.84,;6.95,-11.09,;7.39,-8.37,;11.29,-5.94,;12.63,-5.16,)| Show InChI InChI=1S/C18H23N5/c1-11-20-18(22-21-11)7-12-4-5-17-15(6-12)16(10-19-17)13-8-14(9-13)23(2)3/h4-6,10,13-14,19H,7-9H2,1-3H3,(H,20,21,22)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
					More data for this Ligand-Target Pair