Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'mortishire-smith' and Initial = 'rj'   

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))	BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080889 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080894 (3-[(2R,3aR,6aR)-5-(4-Fluoro-benzyl)-1-methyl-octah...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12 Show InChI InChI=1S/C25H27FN6/c1-30-22(9-19-13-31(14-25(19)30)12-17-2-4-20(26)5-3-17)8-18-11-27-24-7-6-21(10-23(18)24)32-15-28-29-16-32/h2-7,10-11,15-16,19,22,25,27H,8-9,12-14H2,1H3/t19-,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080890 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C25H28N6/c1-29-22(10-20-14-30(15-25(20)29)13-18-5-3-2-4-6-18)9-19-12-26-24-8-7-21(11-23(19)24)31-16-27-28-17-31/h2-8,11-12,16-17,20,22,25-26H,9-10,13-15H2,1H3/t20-,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & 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				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080892 (Benzyl-[(3R,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylme...) Show SMILES CN(C[C@H]1C[C@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)N(C)C1)Cc1ccccc1 Show InChI InChI=1S/C26H31N5/c1-29(16-20-6-4-3-5-7-20)17-21-12-24(30(2)18-21)13-22-15-28-26-9-8-23(14-25(22)26)31-11-10-27-19-31/h3-11,14-15,19,21,24,28H,12-13,16-18H2,1-2H3/t21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080891 (3-{(2R,3aR,6aR)-5-[2-(3-Fluoro-phenyl)-ethyl]-1-me...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12 Show InChI InChI=1S/C26H29FN6/c1-31-23(10-19-13-28-25-6-5-22(12-24(19)25)33-16-29-30-17-33)11-20-14-32(15-26(20)31)8-7-18-3-2-4-21(27)9-18/h2-6,9,12-13,16-17,20,23,26,28H,7-8,10-11,14-15H2,1H3/t20-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080893 (Benzyl-[(3S,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylme...) Show SMILES CN1C[C@@H](CN(Cc2ccccc2)C#N)C[C@@H]1Cc1c[nH]c2ccc(cc12)-n1ccnc1 Show InChI InChI=1S/C26H28N6/c1-30-15-21(17-31(18-27)16-20-5-3-2-4-6-20)11-24(30)12-22-14-29-26-8-7-23(13-25(22)26)32-10-9-28-19-32/h2-10,13-14,19,21,24,29H,11-12,15-17H2,1H3/t21-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080890 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C25H28N6/c1-29-22(10-20-14-30(15-25(20)29)13-18-5-3-2-4-6-18)9-19-12-26-24-8-7-21(11-23(19)24)31-16-27-28-17-31/h2-8,11-12,16-17,20,22,25-26H,9-10,13-15H2,1H3/t20-,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Merck Sharp & 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				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060425 (Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1 Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Merck Sharp & 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				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080889 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080894 (3-[(2R,3aR,6aR)-5-(4-Fluoro-benzyl)-1-methyl-octah...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12 Show InChI InChI=1S/C25H27FN6/c1-30-22(9-19-13-31(14-25(19)30)12-17-2-4-20(26)5-3-17)8-18-11-27-24-7-6-21(10-23(18)24)32-15-28-29-16-32/h2-7,10-11,15-16,19,22,25,27H,8-9,12-14H2,1H3/t19-,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Merck Sharp & 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				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080891 (3-{(2R,3aR,6aR)-5-[2-(3-Fluoro-phenyl)-ethyl]-1-me...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12 Show InChI InChI=1S/C26H29FN6/c1-31-23(10-19-13-28-25-6-5-22(12-24(19)25)33-16-29-30-17-33)11-20-14-32(15-26(20)31)8-7-18-3-2-4-21(27)9-18/h2-6,9,12-13,16-17,20,23,26,28H,7-8,10-11,14-15H2,1H3/t20-,23+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Merck Sharp & 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				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair