Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50007728   

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
Androgen receptor (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Competitive displacement of [3H]R1881 from human AR-LBD expressed in LNCaP cells incubated for 24 hrs by scintillation counting method based radiolig...				Eur J Med Chem 171: 265-281 (2019) Article DOI: 10.1016/j.ejmech.2019.03.041 BindingDB Entry DOI: 10.7270/Q2J106GP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Competitive displacement of [3H]R1881 from human AR-LBD expressed in LNCaP cells incubated for 24 hrs by scintillation counting method based radiolig...				Eur J Med Chem 171: 265-281 (2019) Article DOI: 10.1016/j.ejmech.2019.03.041 BindingDB Entry DOI: 10.7270/Q2J106GP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50512135 (CHEMBL4441215) Show SMILES Cc1noc(C)c1-c1ccc(C)c(Nc2ccc(C#N)c(Cl)c2)c1 Show InChI InChI=1S/C19H16ClN3O/c1-11-4-5-14(19-12(2)23-24-13(19)3)8-18(11)22-16-7-6-15(10-21)17(20)9-16/h4-9,22H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	641	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Competitive displacement of [3H]R1881 from human AR-LBD expressed in LNCaP cells incubated for 24 hrs by scintillation counting method based radiolig...				Eur J Med Chem 171: 265-281 (2019) Article DOI: 10.1016/j.ejmech.2019.03.041 BindingDB Entry DOI: 10.7270/Q2J106GP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Competitive displacement of [3H]R1881 from human AR-LBD expressed in LNCaP cells incubated for 24 hrs by scintillation counting method based radiolig...				Eur J Med Chem 171: 265-281 (2019) Article DOI: 10.1016/j.ejmech.2019.03.041 BindingDB Entry DOI: 10.7270/Q2J106GP
					More data for this Ligand-Target Pair