Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50029556   

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))	BDBM50285522 (1-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)-n1cnc2cc(ccc12)C#N Show InChI InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]-5-HT radioligand				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]-5-HT radioligand				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-OH-DPAT radioligand				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50285523 (CHEMBL80189 | [2-(5-Imidazo[4,5-b]pyridin-3-yl-1H-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnc2cccnc12 Show InChI InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]-5-HT radioligand				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50285522 (1-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)-n1cnc2cc(ccc12)C#N Show InChI InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-OH-DPAT radioligand				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50285523 (CHEMBL80189 | [2-(5-Imidazo[4,5-b]pyridin-3-yl-1H-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnc2cccnc12 Show InChI InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-OH-DPAT radioligand				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50285523 (CHEMBL80189 | [2-(5-Imidazo[4,5-b]pyridin-3-yl-1H-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnc2cccnc12 Show InChI InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor in guinea pig				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (GUINEA PIG)	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 Article	n/a	n/a	n/a	n/a	8.5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor in guinea pig substantia nigra				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1D (GUINEA PIG)	BDBM50285523 (CHEMBL80189 | [2-(5-Imidazo[4,5-b]pyridin-3-yl-1H-...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnc2cccnc12 Show InChI InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor in guinea pig substantia nigra				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor in guinea pig				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50285522 (1-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)-n1cnc2cc(ccc12)C#N Show InChI InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor in guinea pig				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (GUINEA PIG)	BDBM50285522 (1-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)-n1cnc2cc(ccc12)C#N Show InChI InChI=1S/C22H21N5/c1-26-8-2-3-17(26)10-16-13-24-20-6-5-18(11-19(16)20)27-14-25-21-9-15(12-23)4-7-22(21)27/h4-7,9,11,13-14,17,24H,2-3,8,10H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	0.0420	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor in guinea pig substantia nigra				Bioorg Med Chem Lett 5: 2391-2396 (1995) Article DOI: 10.1016/0960-894X(95)00417-R BindingDB Entry DOI: 10.7270/Q2S75G9W
					More data for this Ligand-Target Pair