Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50018183   

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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405853 (CHEMBL5273189) Show SMILES CC(C)COC(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C12H14N2O5S2/c1-7(2)6-18-12(15)19-8-3-4-9-10(5-8)20-11(14-9)21(13,16)17/h3-5,7H,6H2,1-2H3,(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405850 (CHEMBL5273001) Show SMILES COC(C)(C)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C12H14N2O5S2/c1-12(2,18-3)10(15)19-7-4-5-8-9(6-7)20-11(14-8)21(13,16)17/h4-6H,1-3H3,(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM61427 (2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzo...) Show SMILES Cc1nc(N2CCN(CC2)C(=O)c2ccco2)c2c3CCCCc3sc2n1 Show InChI InChI=1S/C20H22N4O2S/c1-13-21-18(17-14-5-2-3-7-16(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)15-6-4-12-26-15/h4,6,12H,2-3,5,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405861 (CHEMBL5278819) Show SMILES COCCOC(C)(C)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O6S2/c1-14(2,21-7-6-20-3)12(17)22-9-4-5-10-11(8-9)23-13(16-10)24(15,18)19/h4-5,8H,6-7H2,1-3H3,(H2,15,18,19)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405852 (CHEMBL5281110) Show SMILES CCCC(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H12N2O4S2/c1-2-3-10(14)17-7-4-5-8-9(6-7)18-11(13-8)19(12,15)16/h4-6H,2-3H2,1H3,(H2,12,15,16)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405854 (CHEMBL5282587) Show SMILES CN(C)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C10H11N3O4S2/c1-13(2)10(14)17-6-3-4-7-8(5-6)18-9(12-7)19(11,15)16/h3-5H,1-2H3,(H2,11,15,16)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405859 (CHEMBL5271818) Show SMILES CCCCCCCC(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C15H20N2O4S2/c1-2-3-4-5-6-7-14(18)21-11-8-9-12-13(10-11)22-15(17-12)23(16,19)20/h8-10H,2-7H2,1H3,(H2,16,19,20)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405858 (CHEMBL5275607) Show SMILES CN(C)c1ccc(cc1)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O4S2/c1-19(2)11-5-3-10(4-6-11)15(20)23-12-7-8-13-14(9-12)24-16(18-13)25(17,21)22/h3-9H,1-2H3,(H2,17,21,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405855 (CHEMBL5267293) Show SMILES CC(C)(C)OC(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C12H14N2O5S2/c1-12(2,3)19-11(15)18-7-4-5-8-9(6-7)20-10(14-8)21(13,16)17/h4-6H,1-3H3,(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405860 (CHEMBL5278170) Show SMILES CC(C)(C)C(=O)Nc1c(OC(=O)C(C)(C)C)ccc2nc(sc12)S(N)(=O)=O Show InChI InChI=1S/C17H23N3O5S2/c1-16(2,3)13(21)20-11-10(25-14(22)17(4,5)6)8-7-9-12(11)26-15(19-9)27(18,23)24/h7-8H,1-6H3,(H,20,21)(H2,18,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405851 (CHEMBL5283686) Show SMILES COc1cccc(OC)c1C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C16H14N2O6S2/c1-22-11-4-3-5-12(23-2)14(11)15(19)24-9-6-7-10-13(8-9)25-16(18-10)26(17,20)21/h3-8H,1-2H3,(H2,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405856 (CHEMBL5267388) Show SMILES CCCCOS(=O)(=O)c1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H14N2O5S3/c1-2-3-6-18-21(16,17)8-4-5-9-10(7-8)19-11(13-9)20(12,14)15/h4-5,7H,2-3,6H2,1H3,(H2,12,14,15)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig				Citation and Details
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50405857 (CHEMBL5281025) Show SMILES CN(C)Cc1ccc(cc1)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S2/c1-20(2)10-11-3-5-12(6-4-11)16(21)24-13-7-8-14-15(9-13)25-17(19-14)26(18,22)23/h3-9H,10H2,1-2H3,(H2,18,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at histamine H1 receptor against histamine in isolated ileum of guinea pig.				Citation and Details
					More data for this Ligand-Target Pair