Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steroid 17-alpha-hydroxylase/17,20 lyase' and Ligand = 'BDBM50029236'   

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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029236 (2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...) Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11| Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular C17,20-Lyase.				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50029236 (2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...) Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1 |TLB:7:8:15:11| Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
CRC Laboratory Curated by ChEMBL					Assay Description Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase				J Med Chem 38: 4191-7 (1995) BindingDB Entry DOI: 10.7270/Q2NK3D2C
					More data for this Ligand-Target Pair