Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50060423'   

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))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	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))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	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 (Homo sapiens (Human))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	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))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	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	1.60	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))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	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	1.5	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))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	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	1.5	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060423 (Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...) Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3	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	1.60	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