Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 13 entry = 50041223   

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)	BDBM50406771 (L-694247) Show SMILES CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 Show InChI InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membrane using [3H]5-HT as radioligand				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membrane using [3H]5-HT as radioligand				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					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 PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membrane using [3H]5-HT as radioligand				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50407363 (CHEMBL51108) Show SMILES CN(C)CCc1c[nH]c2ccc(Cc3ncn(C)n3)cc12 Show InChI InChI=1S/C16H21N5/c1-20(2)7-6-13-10-17-15-5-4-12(8-14(13)15)9-16-18-11-21(3)19-16/h4-5,8,10-11,17H,6-7,9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membrane using [3H]5-HT as radioligand				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50407366 (CHEMBL298974) Show SMILES CN(C)CCc1c[nH]c2ccc(Cn3nccn3)cc12 Show InChI InChI=1S/C15H19N5/c1-19(2)8-5-13-10-16-15-4-3-12(9-14(13)15)11-20-17-6-7-18-20/h3-4,6-7,9-10,16H,5,8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membrane using [3H]5-HT as radioligand				J Med Chem 38: 1799-810 (1995) BindingDB Entry DOI: 10.7270/Q20V8DZS
					More data for this Ligand-Target Pair