Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50065421'   

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))	BDBM50065421 (3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...) Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1 Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065421 (3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...) Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1 Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.75	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 from human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 41: 2667-70 (1998) Article DOI: 10.1021/jm980204e BindingDB Entry DOI: 10.7270/Q22Z14PW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065421 (3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...) Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1 Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2	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	5	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50065421 (3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...) Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1 Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2	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	5.10	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist induced [35S]-GTP-gammaS, binding in CHO cells expressing 5-HT 1d receptor				J Med Chem 41: 2667-70 (1998) Article DOI: 10.1021/jm980204e BindingDB Entry DOI: 10.7270/Q22Z14PW
					More data for this Ligand-Target Pair