Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'juniewicz' and Initial = 'pe'   

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 (Rattus norvegicus (Rat))	BDBM18525 (Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50006106 ((1R,5aS,10aS,12aS)-1-Ethynyl-8-methanesulfonyl-10a...) Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5oc(cc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32O4S/c1-5-24(25)11-9-19-17-7-6-16-13-20-15(12-21(28-20)29(4,26)27)14-22(16,2)18(17)8-10-23(19,24)3/h1,12,16-19,25H,6-11,13-14H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50006102 (1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...) Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc(sc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C23H31NO3S2/c1-5-23(25)11-9-17-15-7-6-14-12-18-19(28-20(24-18)29(4,26)27)13-21(14,2)16(15)8-10-22(17,23)3/h1,14-17,25H,6-13H2,2-4H3/t14-,15?,16?,17?,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50006104 (1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...) Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5oc(nc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C23H31NO4S/c1-5-23(25)11-9-17-15-7-6-14-12-19-18(24-20(28-19)29(4,26)27)13-21(14,2)16(15)8-10-22(17,23)3/h1,14-17,25H,6-13H2,2-4H3/t14-,15?,16?,17?,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50368314 (ZANOTERONE) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(cc5C[C@]34C)S(C)(=O)=O)[C@@H]1CC[C@@]2(O)C#C Show InChI InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM35909 (2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50006105 (1-Ethynyl-8-methanesulfonyl-11a,13a-dimethyl-2,3,3...) Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc(ncc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32N2O3S/c1-5-24(27)11-9-19-17-7-6-16-12-20-15(14-25-21(26-20)30(4,28)29)13-22(16,2)18(17)8-10-23(19,24)3/h1,14,16-19,27H,6-13H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50006108 (1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...) Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5cc(oc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32O4S/c1-5-24(25)11-9-19-17-7-6-16-12-15-13-21(29(4,26)27)28-20(15)14-22(16,2)18(17)8-10-23(19,24)3/h1,13,16-19,25H,6-12,14H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50006103 (1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...) Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5sc(cc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32O3S2/c1-5-24(25)11-9-19-17-7-6-16-13-20-15(12-21(28-20)29(4,26)27)14-22(16,2)18(17)8-10-23(19,24)3/h1,12,16-19,25H,6-11,13-14H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881				J Med Chem 35: 1663-70 (1992) BindingDB Entry DOI: 10.7270/Q2JH3MSN
					More data for this Ligand-Target Pair