Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50134328'   

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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134328 (CHEMBL124349 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23ClN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory constant against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134328 (CHEMBL124349 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23ClN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134328 (CHEMBL124349 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23ClN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid sulfatase				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134328 (CHEMBL124349 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23ClN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50134328 (CHEMBL124349 | Phenyl-acetic acid (1R,3R,5S)-8-(4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16| Show InChI InChI=1S/C22H23ClN2O5S/c23-16-6-10-20(11-7-16)31(28,29)24-22(27)25-17-8-9-18(25)14-19(13-17)30-21(26)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,27)/t17-,18+,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells				Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G
					More data for this Ligand-Target Pair