Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50060426'   

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))	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding from human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.				J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Sus scrofa)	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6GDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.450	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.				J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060426 (CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1 Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair