Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50033969   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50354745 (CHEMBL1834084) Show SMILES Fc1cccc(Cl)c1CN1CCCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H22ClFN2O2S/c23-21-7-3-8-22(24)20(21)16-25-11-4-12-26(14-13-25)29(27,28)19-10-9-17-5-1-2-6-18(17)15-19/h1-3,5-10,15H,4,11-14,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50233538 (18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...) Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19| Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM32546 (arylsulfonylpiperazine, 18) Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)18-6-3-9-24-19(18)25-10-12-26(13-11-25)29(27,28)17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM32547 (arylsulfonylpiperazine, 19) Show SMILES FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)17-8-4-10-24-19(17)25-11-13-26(14-12-25)29(27,28)18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50117901 (2-(2-(3-chloro-2-methylphenylsulfonamido)thiazol-4...) Show SMILES CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 Show InChI InChI=1S/C16H20ClN3O3S2/c1-4-20(5-2)15(21)9-12-10-24-16(18-12)19-25(22,23)14-8-6-7-13(17)11(14)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28.4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50354740 (CHEMBL1834080) Show SMILES O=S(=O)(N1CCC(=CC1)c1ccccc1)c1ccc2ccccc2c1 |c:6| Show InChI InChI=1S/C21H19NO2S/c23-25(24,21-11-10-18-8-4-5-9-20(18)16-21)22-14-12-19(13-15-22)17-6-2-1-3-7-17/h1-12,16H,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.8	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50354741 (CHEMBL1834081) Show SMILES FC(F)(F)c1cnc(N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C20H17ClF3N3O2S/c21-18-12-16(20(22,23)24)13-25-19(18)26-7-9-27(10-8-26)30(28,29)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32.7	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50354746 (CHEMBL1834085) Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1 Show InChI InChI=1S/C21H17ClN2O3S/c1-24(15-16-6-3-2-4-7-16)28(25,26)18-12-10-17(11-13-18)27-21-9-5-8-20(22)19(21)14-23/h2-13H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	41.3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50354742 (CHEMBL1834082) Show SMILES Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C26H19ClFN3O2S/c27-22-8-4-9-23(28)21(22)17-34-26-30-29-25(24-10-5-15-32-24)31(26)19-11-13-20(14-12-19)33-16-18-6-2-1-3-7-18/h1-15H,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM72094 (1-(2,3-Dihydro-indol-1-yl)-2-(5,6-diphenyl-[1,2,4]...) Show SMILES O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)N1CCc2ccccc12 Show InChI InChI=1S/C25H20N4OS/c30-22(29-16-15-18-9-7-8-14-21(18)29)17-31-25-26-23(19-10-3-1-4-11-19)24(27-28-25)20-12-5-2-6-13-20/h1-14H,15-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	58.1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50354743 (CHEMBL1834083) Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)C(=C\c1ccc2OCCc2c1)\C#N Show InChI InChI=1S/C17H11Cl2NO3S/c18-13-2-4-17(15(19)9-13)24(21,22)14(10-20)8-11-1-3-16-12(7-11)5-6-23-16/h1-4,7-9H,5-6H2/b14-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	66.7	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50354744 (CHEMBL1379780) Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(CCc2ccccn2)c1 Show InChI InChI=1S/C19H16Cl2N2O2S/c20-15-8-10-18(21)19(13-15)26(24,25)23-17-6-3-4-14(12-17)7-9-16-5-1-2-11-22-16/h1-6,8,10-13,23H,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceutical Holding Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins b...				Bioorg Med Chem Lett 21: 5739-44 (2011) Article DOI: 10.1016/j.bmcl.2011.08.019 BindingDB Entry DOI: 10.7270/Q27H1K0C
					More data for this Ligand-Target Pair