Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2120   

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 (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354702 (Preparation of t-butyl(4-hydroxybenzyl)carbamate |...) Show SMILES Fc1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1F |r| Show InChI InChI=1S/C19H12F8N2O2/c20-15-4-3-12(6-16(15)21)30-9-13-8-29(17(31-13)19(25,26)27)11-2-1-10(7-28)14(5-11)18(22,23)24/h1-6,13,17H,8-9H2/t13-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354706 (Preparation of 4-((2R,5S)-5-((4-cyanophenoxy)methy...) Show SMILES FC(F)(F)[C@H]1O[C@H](COc2ccc(cc2)C#N)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H13F6N3O2/c21-19(22,23)17-7-14(4-3-13(17)9-28)29-10-16(31-18(29)20(24,25)26)11-30-15-5-1-12(8-27)2-6-15/h1-7,16,18H,10-11H2/t16-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354712 (Preparation of N-(4-(((2R,5S)-3-(4-cyano-3-(triflu...) Show SMILES CC(=O)Nc1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H17F6N3O3/c1-12(31)29-14-3-6-16(7-4-14)32-11-17-10-30(19(33-17)21(25,26)27)15-5-2-13(9-28)18(8-15)20(22,23)24/h2-8,17,19H,10-11H2,1H3,(H,29,31)/t17-,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354721 (Preparation of ((2S,5S)-3-(3-methyl-4-nitrophenyl)...) Show SMILES [O-][N+](=O)c1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C19H12F7N3O4/c20-15-6-12(29(30)31)3-4-16(15)32-9-13-8-28(17(33-13)19(24,25)26)11-2-1-10(7-27)14(5-11)18(21,22)23/h1-6,13,17H,8-9H2/t13-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354703 (Preparation of 4-((2R,5S)-5-((4-cyano-2-fluorophen...) Show SMILES Fc1cc(ccc1OC[C@@H]1CN([C@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C#N |r| Show InChI InChI=1S/C20H12F7N3O2/c21-16-5-11(7-28)1-4-17(16)31-10-14-9-30(18(32-14)20(25,26)27)13-3-2-12(8-29)15(6-13)19(22,23)24/h1-6,14,18H,9-10H2/t14-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354698 (Preparation of ((2R,5S)-3-(3-methyl-4-nitrophenyl)...) Show SMILES FC(F)(F)[C@@H]1OC(COc2ccc(cc2)C#N)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H13F6N3O2/c21-19(22,23)17-7-14(4-3-13(17)9-28)29-10-16(31-18(29)20(24,25)26)11-30-15-5-1-12(8-27)2-6-15/h1-7,16,18H,10-11H2/t16?,18-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354700 (Preparation of ((2R,5S)-3-(3-trifluoromethyl-4-nit...) Show SMILES [O-][N+](=O)c1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C19H13F6N3O4/c20-18(21,22)16-7-13(2-1-11(16)8-26)27-9-15(32-17(27)19(23,24)25)10-31-14-5-3-12(4-6-14)28(29)30/h1-7,15,17H,9-10H2/t15-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354719 (Preparation of 4-(2R,5S)-5-((3-fluoro-4-nitropheno...) Show SMILES [O-][N+](=O)c1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1F |r| Show InChI InChI=1S/C19H12F7N3O4/c20-15-6-12(3-4-16(15)29(30)31)32-9-13-8-28(17(33-13)19(24,25)26)11-2-1-10(7-27)14(5-11)18(21,22)23/h1-6,13,17H,8-9H2/t13-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354717 (Preparation of (S)-2-hydroxy-3-((4-nitro-3-(triflu...) Show SMILES FC(F)(F)[C@H]1O[C@H](CSc2ccc(cc2)C#N)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H13F6N3OS/c21-19(22,23)17-7-14(4-3-13(17)9-28)29-10-15(30-18(29)20(24,25)26)11-31-16-5-1-12(8-27)2-6-16/h1-7,15,18H,10-11H2/t15-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354705 (Preparation of (S)-3-((4-cyano-3-(trifluoromethyl)...) Show SMILES Fc1cc(F)c(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1F |r| Show InChI InChI=1S/C19H11F9N2O2/c20-13-4-15(22)16(5-14(13)21)31-8-11-7-30(17(32-11)19(26,27)28)10-2-1-9(6-29)12(3-10)18(23,24)25/h1-5,11,17H,7-8H2/t11-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354699 (Preparation of (S)-3-((4-nitro-3-(trifluoromethyl)...) Show SMILES COC(=O)c1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H16F6N2O4/c1-31-18(30)12-3-6-15(7-4-12)32-11-16-10-29(19(33-16)21(25,26)27)14-5-2-13(9-28)17(8-14)20(22,23)24/h2-8,16,19H,10-11H2,1H3/t16-,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.7	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354715 (Preparation of 4-((2R,5S)-5-((4-methoxyphenoxy)met...) Show SMILES COc1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H16F6N2O3/c1-29-14-4-6-15(7-5-14)30-11-16-10-28(18(31-16)20(24,25)26)13-3-2-12(9-27)17(8-13)19(21,22)23/h2-8,16,18H,10-11H2,1H3/t16-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.4	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354694 (Preparation of 4-((2S,5S)-5-(hydroxymethyl)-2-(tri...) Show SMILES FC(F)(F)[C@H]1O[C@H](COCc2ccc(cc2)C#N)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H15F6N3O2/c22-20(23,24)18-7-16(6-5-15(18)9-29)30-10-17(32-19(30)21(25,26)27)12-31-11-14-3-1-13(8-28)2-4-14/h1-7,17,19H,10-12H2/t17-,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.9	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354722 (Preparation of 4-(((2R,5S)-3-(4-cyano-3-(trifluoro...) Show SMILES CN(C)C(=O)c1ccc(OC[C@@H]2CN([C@@H](O2)C(F)(F)F)c2ccc(C#N)c(C)c2)cc1 |r| Show InChI InChI=1S/C22H22F3N3O3/c1-14-10-17(7-4-16(14)11-26)28-12-19(31-21(28)22(23,24)25)13-30-18-8-5-15(6-9-18)20(29)27(2)3/h4-10,19,21H,12-13H2,1-3H3/t19-,21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.1	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354720 (Preparation of (2R,5S)-3-(4-nitro-3-(trifluorometh...) Show SMILES CNC(=O)c1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H17F6N3O3/c1-29-18(31)12-3-6-15(7-4-12)32-11-16-10-30(19(33-16)21(25,26)27)14-5-2-13(9-28)17(8-14)20(22,23)24/h2-8,16,19H,10-11H2,1H3,(H,29,31)/t16-,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32.7	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354714 (Preparation of ethyl(S)-3-((3-chloro-4-nitrophenyl...) Show SMILES FC(F)(F)[C@H]1O[C@H](CSc2ccc(Cl)cc2)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H13ClF6N2OS/c20-12-2-5-15(6-3-12)30-10-14-9-28(17(29-14)19(24,25)26)13-4-1-11(8-27)16(7-13)18(21,22)23/h1-7,14,17H,9-10H2/t14-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43.6	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354710 (Preparation of 4-((2R,5S)-5-((R)-2,2,2-trifluoro-1...) Show SMILES O[C@H]([C@@H]1CN([C@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C14H9F9N2O2/c15-12(16,17)8-3-7(2-1-6(8)4-24)25-5-9(10(26)13(18,19)20)27-11(25)14(21,22)23/h1-3,9-11,26H,5H2/t9-,10+,11+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44.3	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354693 (Preparation of (S)-4-((2,3-dihydroxypropyl)amino)-...) Show SMILES OC[C@@H]1CN([C@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C13H10F6N2O2/c14-12(15,16)10-3-8(2-1-7(10)4-20)21-5-9(6-22)23-11(21)13(17,18)19/h1-3,9,11,22H,5-6H2/t9-,11+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64.4	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354713 (Preparation of 4-((2R,5S)-5-((4-chlorophenoxy)meth...) Show SMILES FC(F)(F)[C@H]1O[C@H](COc2ccc(Cl)cc2)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H13ClF6N2O2/c20-12-2-5-14(6-3-12)29-10-15-9-28(17(30-15)19(24,25)26)13-4-1-11(8-27)16(7-13)18(21,22)23/h1-7,15,17H,9-10H2/t15-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75.1	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354716 (Preparation of 4-((2R,5S)-5-((3-methoxyphenoxy)met...) Show SMILES COc1cccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C20H16F6N2O3/c1-29-14-3-2-4-15(8-14)30-11-16-10-28(18(31-16)20(24,25)26)13-6-5-12(9-27)17(7-13)19(21,22)23/h2-8,16,18H,10-11H2,1H3/t16-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77.2	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354697 (Preparation of 4-((2R,5R)-5-((4-cyanophenoxy)methy...) Show SMILES Cc1cc(ccc1[N+]([O-])=O)N1C[C@@H](COc2ccc(cc2)C#N)O[C@@H]1C(F)(F)F |r| Show InChI InChI=1S/C19H16F3N3O4/c1-12-8-14(4-7-17(12)25(26)27)24-10-16(29-18(24)19(20,21)22)11-28-15-5-2-13(9-23)3-6-15/h2-8,16,18H,10-11H2,1H3/t16-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	91.6	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354711 (Preparation of (2R,5S)-3-(3-methyl-4-nitrophenyl)-...) Show SMILES O[C@@H]([C@@H]1CN([C@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C14H9F9N2O2/c15-12(16,17)8-3-7(2-1-6(8)4-24)25-5-9(10(26)13(18,19)20)27-11(25)14(21,22)23/h1-3,9-11,26H,5H2/t9-,10-,11+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354718 (Preparation of N-(4-(((2S,5S)-3-(4-cyano-3-(triflu...) Show SMILES CC(=O)Nc1ccc(OC[C@@H]2CN([C@@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H17F6N3O3/c1-12(31)29-14-3-6-16(7-4-14)32-11-17-10-30(19(33-17)21(25,26)27)15-5-2-13(9-28)18(8-15)20(22,23)24/h2-8,17,19H,10-11H2,1H3,(H,29,31)/t17-,19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354704 (Preparation of 4-((2R,5R)-5-(aminomethyl)-2-(trifl...) Show SMILES [O-][N+](=O)c1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)c(Cl)c1 |r| Show InChI InChI=1S/C19H12ClF6N3O4/c20-15-6-12(29(30)31)3-4-16(15)32-9-13-8-28(17(33-13)19(24,25)26)11-2-1-10(7-27)14(5-11)18(21,22)23/h1-6,13,17H,8-9H2/t13-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354723 (Preparation of 4-((2S,5S)-5-((4-nitrophenoxy)methy...) Show SMILES [O-][N+](=O)c1ccc(OC[C@@H]2CN([C@@H](O2)C(F)(F)F)c2ccc(C#N)c(c2)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C19H13F6N3O4/c20-18(21,22)16-7-13(2-1-11(16)8-26)27-9-15(32-17(27)19(23,24)25)10-31-14-5-3-12(4-6-14)28(29)30/h1-7,15,17H,9-10H2/t15-,17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354701 (Preparation of 4-(((2R,5S)-3-(4-cyano-3-(trifluoro...) Show SMILES OC(=O)c1ccc(OC[C@@H]2CN([C@H](O2)C(F)(F)F)c2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H14F6N2O6/c20-18(21,22)14-7-11(3-6-15(14)27(30)31)26-8-13(33-17(26)19(23,24)25)9-32-12-4-1-10(2-5-12)16(28)29/h1-7,13,17H,8-9H2,(H,28,29)/t13-,17+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	367	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354696 (Preparation of (S)-3-((3-methyl-4-nitrophenyl)amin...) Show SMILES FC(F)(F)[C@@H]1O[C@@H](COCc2ccc(cc2)C#N)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H15F6N3O2/c22-20(23,24)18-7-16(6-5-15(18)9-29)30-10-17(32-19(30)21(25,26)27)12-31-11-14-3-1-13(8-28)2-4-14/h1-7,17,19H,10-12H2/t17-,19+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	657	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354708 (Preparation of 4-((2S,5R)-5-((R)-2,2,2-trifluoro-1...) Show SMILES O[C@H]([C@H]1CN([C@@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C14H9F9N2O2/c15-12(16,17)8-3-7(2-1-6(8)4-24)25-5-9(10(26)13(18,19)20)27-11(25)14(21,22)23/h1-3,9-11,26H,5H2/t9-,10-,11+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354707 (Preparation of 4-((2S,5R)-5-((4-cyanophenoxy)methy...) Show SMILES FC(F)(F)[C@@H]1O[C@@H](COc2ccc(cc2)C#N)CN1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H13F6N3O2/c21-19(22,23)17-7-14(4-3-13(17)9-28)29-10-16(31-18(29)20(24,25)26)11-30-15-5-1-12(8-27)2-6-15/h1-7,16,18H,10-11H2/t16-,18+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354695 (4-((2S,5R)-5-(hydroxymethyl)-2-(trifluoromethyl)ox...) Show SMILES OC[C@@H]1CN([C@@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C13H10F6N2O2/c14-12(15,16)10-3-8(2-1-7(10)4-20)21-5-9(6-22)23-11(21)13(17,18)19/h1-3,9,11,22H,5-6H2/t9-,11-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354709 (Preparation of 4-((2S,5R)-5-((S)-2,2,2-trifluoro-1...) Show SMILES O[C@@H]([C@H]1CN([C@@H](O1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C14H9F9N2O2/c15-12(16,17)8-3-7(2-1-6(8)4-24)25-5-9(10(26)13(18,19)20)27-11(25)14(21,22)23/h1-3,9-11,26H,5H2/t9-,10+,11+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
					More data for this Ligand-Target Pair