Compile Data Set for Download or QSAR

Found 15 hits of non-affinity data for polymerid = 5642   

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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM17294 ((13S,14S,15S)-15-methyl-13-nonyltetracyclo[8.7.0.0...) Show SMILES CCCCCCCCC[C@H]1CC2C3CCc4cc(O)ccc4C3CC[C@]2(C)[C@H]1O Show InChI InChI=1S/C27H42O2/c1-3-4-5-6-7-8-9-10-20-18-25-24-13-11-19-17-21(28)12-14-22(19)23(24)15-16-27(25,2)26(20)29/h12,14,17,20,23-26,28-29H,3-11,13,15-16,18H2,1-2H3/t20-,23?,24?,25?,26-,27-/m0/s1	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	n/a	n/a	n/a	n/a	n/a	7.5	37
CHUL					Assay Description For steady-state kinetic study of hybrid inhibitors, a Fluorolog 3 instrument was used to monitor the fluorescent signal of NADPH formed during estra...				FASEB J 16: 1829-31 (2002) Article DOI: 10.1096/fj.02-0026fje BindingDB Entry DOI: 10.7270/Q23T9FGW
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25859 (4-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol | hydro...) Show SMILES Oc1ccc(cc1)-c1ccsc1-c1ccc(O)cc1 Show InChI InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-19-16(15)12-3-7-14(18)8-4-12/h1-10,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25834 (4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenol | h...) Show SMILES Oc1ccc(cc1)-c1csc(n1)-c1ccc(O)cc1 Show InChI InChI=1S/C15H11NO2S/c17-12-5-1-10(2-6-12)14-9-19-15(16-14)11-3-7-13(18)8-4-11/h1-9,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25840 (3-[5-(4-hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3...) Show SMILES Cn1nc(nc1-c1ccc(O)cc1)-c1cccc(O)c1 Show InChI InChI=1S/C15H13N3O2/c1-18-15(10-5-7-12(19)8-6-10)16-14(17-18)11-3-2-4-13(20)9-11/h2-9,19-20H,1H3	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	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25841 (4-[5-(4-hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3...) Show SMILES Cn1nc(nc1-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C15H13N3O2/c1-18-15(11-4-8-13(20)9-5-11)16-14(17-18)10-2-6-12(19)7-3-10/h2-9,19-20H,1H3	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	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25842 (4-[5-(3-hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3...) Show SMILES Cn1nc(nc1-c1cccc(O)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C15H13N3O2/c1-18-15(11-3-2-4-13(20)9-11)16-14(17-18)10-5-7-12(19)8-6-10/h2-9,19-20H,1H3	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	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25843 (3-[5-(3-hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3...) Show SMILES Cn1nc(nc1-c1cccc(O)c1)-c1cccc(O)c1 Show InChI InChI=1S/C15H13N3O2/c1-18-15(11-5-3-7-13(20)9-11)16-14(17-18)10-4-2-6-12(19)8-10/h2-9,19-20H,1H3	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	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25845 (2,5-diphenylthiophene | thiophene, 17) Show SMILES c1cc(sc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25846 (3-(thiophen-2-yl)phenol | hydroxyphenyl substitute...) Show SMILES Oc1cccc(c1)-c1cccs1 Show InChI InChI=1S/C10H8OS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25848 (4-(5-phenylthiophen-2-yl)phenol | hydroxyphenyl su...) Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccccc1 Show InChI InChI=1S/C16H12OS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25849 (4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol | CHEMB...) Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1 Show InChI InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25854 (4-[4-(4-hydroxyphenyl)thiophen-2-yl]phenol | hydro...) Show SMILES Oc1ccc(cc1)-c1csc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C16H12O2S/c17-14-5-1-11(2-6-14)13-9-16(19-10-13)12-3-7-15(18)8-4-12/h1-10,17-18H	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	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25857 (4-[5-(4-hydroxyphenyl)selenophen-2-yl]phenol | hyd...) Show SMILES Oc1ccc(cc1)-c1ccc([se]1)-c1ccc(O)cc1 Show InChI InChI=1S/C16H12O2Se/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25858 (3-[5-(3-hydroxyphenyl)selenophen-2-yl]phenol | hyd...) Show SMILES Oc1cccc(c1)-c1ccc([se]1)-c1cccc(O)c1 Show InChI InChI=1S/C16H12O2Se/c17-13-5-1-3-11(9-13)15-7-8-16(19-15)12-4-2-6-14(18)10-12/h1-10,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM25830 (4-[2-(4-hydroxyphenyl)-1,3-thiazol-5-yl]phenol | h...) Show SMILES Oc1ccc(cc1)-c1cnc(s1)-c1ccc(O)cc1 Show InChI InChI=1S/C15H11NO2S/c17-12-5-1-10(2-6-12)14-9-16-15(19-14)11-3-7-13(18)8-4-11/h1-9,17-18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	37
Saarland University					Assay Description Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...				J Med Chem 51: 6725-39 (2008) Article DOI: 10.1021/jm8006917 BindingDB Entry DOI: 10.7270/Q2RB72XG
					More data for this Ligand-Target Pair