Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50042148   

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 (Sus scrofa)	BDBM50406762 (CHEMBL37462) Show SMILES CN(C)CCc1c[nH]c2ccc(Cc3nc(N)ns3)cc12 Show InChI InChI=1S/C15H19N5S/c1-20(2)6-5-11-9-17-13-4-3-10(7-12(11)13)8-14-18-15(16)19-21-14/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the displacement of [3H]-5-HT to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Bioorg Med Chem Lett 3: 993-997 (1993) Article DOI: 10.1016/S0960-894X(00)80274-7 BindingDB Entry DOI: 10.7270/Q2Z89DQV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the displacement of [3H]-5-HT to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Bioorg Med Chem Lett 3: 993-997 (1993) Article DOI: 10.1016/S0960-894X(00)80274-7 BindingDB Entry DOI: 10.7270/Q2Z89DQV
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the displacement of [3H]-5-HT to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Bioorg Med Chem Lett 3: 993-997 (1993) Article DOI: 10.1016/S0960-894X(00)80274-7 BindingDB Entry DOI: 10.7270/Q2Z89DQV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50406758 (CHEMBL39243) Show SMILES CN(C)CCc1c[nH]c2ccc(Cc3nc(N)no3)cc12 Show InChI InChI=1S/C15H19N5O/c1-20(2)6-5-11-9-17-13-4-3-10(7-12(11)13)8-14-18-15(16)19-21-14/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the displacement of [3H]-5-HT to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Bioorg Med Chem Lett 3: 993-997 (1993) Article DOI: 10.1016/S0960-894X(00)80274-7 BindingDB Entry DOI: 10.7270/Q2Z89DQV
					More data for this Ligand-Target Pair