Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'nozawa' and Initial = 'e'   

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))	BDBM18656 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18656 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
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 Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Rattus norvegicus)	BDBM18656 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Progesterone receptor (Rattus norvegicus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18656 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18636 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-16-4-3-7-25-10-16)14(2)11-27(13)17-6-5-15(9-24)18(8-17)20(21,22)23/h3-8,10,13-14H,11-12H2,1-2H3,(H,26,29)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18645 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(C)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O/c1-13-4-6-17(10-26-13)27-20(30)29-12-14(2)28(11-15(29)3)18-7-5-16(9-25)19(8-18)21(22,23)24/h4-8,10,14-15H,11-12H2,1-3H3,(H,27,30)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18637 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncc1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-16-5-7-25-8-6-16)14(2)11-27(13)17-4-3-15(10-24)18(9-17)20(21,22)23/h3-9,13-14H,11-12H2,1-2H3,(H,25,26,29)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18649 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...) Show SMILES COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r| Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-16-5-7-19(31-3)26-10-16)14(2)11-28(13)17-6-4-15(9-25)18(8-17)21(22,23)24/h4-8,10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18646 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2...) Show SMILES COc1ncccc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-18-5-4-8-26-19(18)31-3)14(2)11-28(13)16-7-6-15(10-25)17(9-16)21(22,23)24/h4-9,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18654 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C#N)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O/c1-13-12-30(20(31)28-17-5-4-16(9-26)27-10-17)14(2)11-29(13)18-6-3-15(8-25)19(7-18)21(22,23)24/h3-7,10,13-14H,11-12H2,1-2H3,(H,28,31)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18634 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(F)cc1F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F5N4O/c1-12-11-30(20(31)28-19-6-4-15(22)7-18(19)23)13(2)10-29(12)16-5-3-14(9-27)17(8-16)21(24,25)26/h3-8,12-13H,10-11H2,1-2H3,(H,28,31)/t12-,13+/m0/s1	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	200	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18655 (4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl...) Show SMILES CC1CN(C(C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18650 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES CSc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r| Show InChI InChI=1S/C21H22F3N5OS/c1-13-12-29(20(30)27-16-5-7-19(31-3)26-10-16)14(2)11-28(13)17-6-4-15(9-25)18(8-17)21(22,23)24/h4-8,10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18644 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncc(C)c1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O/c1-13-6-17(10-26-9-13)27-20(30)29-12-14(2)28(11-15(29)3)18-5-4-16(8-25)19(7-18)21(22,23)24/h4-7,9-10,14-15H,11-12H2,1-3H3,(H,27,30)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18643 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cnccc1C)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O/c1-13-6-7-26-10-19(13)27-20(30)29-12-14(2)28(11-15(29)3)17-5-4-16(9-25)18(8-17)21(22,23)24/h4-8,10,14-15H,11-12H2,1-3H3,(H,27,30)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18659 ((2R,5S)-N-(6-aminopyridin-3-yl)-4-[4-cyano-3-(trif...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(N)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N6O/c1-12-11-29(19(30)27-15-4-6-18(25)26-9-15)13(2)10-28(12)16-5-3-14(8-24)17(7-16)20(21,22)23/h3-7,9,12-13H,10-11H2,1-2H3,(H2,25,26)(H,27,30)/t12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18648 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(5...) Show SMILES COc1cncc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-16-6-18(31-3)10-26-9-16)14(2)11-28(13)17-5-4-15(8-25)19(7-17)21(22,23)24/h4-7,9-10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18652 (N-Arylpiperazine-1-carboxamide Derivative, 30 | me...) Show SMILES COC(=O)c1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r| Show InChI InChI=1S/C22H22F3N5O3/c1-13-12-30(21(32)28-16-5-7-19(27-10-16)20(31)33-3)14(2)11-29(13)17-6-4-15(9-26)18(8-17)22(23,24)25/h4-8,10,13-14H,11-12H2,1-3H3,(H,28,32)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18653 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(C)=O)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-13-12-30(21(32)28-17-5-7-20(15(3)31)27-10-17)14(2)11-29(13)18-6-4-16(9-26)19(8-18)22(23,24)25/h4-8,10,13-14H,11-12H2,1-3H3,(H,28,32)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18642 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1C)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O/c1-13-12-29(20(30)27-19-5-4-8-26-15(19)3)14(2)11-28(13)17-7-6-16(10-25)18(9-17)21(22,23)24/h4-9,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18651 ((2R,5S)-N-(6-chloropyridin-3-yl)-4-[4-cyano-3-(tri...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(Cl)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N5O/c1-12-11-29(19(30)27-15-4-6-18(21)26-9-15)13(2)10-28(12)16-5-3-14(8-25)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,27,30)/t12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18640 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncnc1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N6O/c1-12-10-28(18(29)26-15-7-24-11-25-8-15)13(2)9-27(12)16-4-3-14(6-23)17(5-16)19(20,21)22/h3-5,7-8,11-13H,9-10H2,1-2H3,(H,26,29)/t12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18647 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4...) Show SMILES COc1ccncc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-18-10-26-7-6-19(18)31-3)14(2)11-28(13)16-5-4-15(9-25)17(8-16)21(22,23)24/h4-8,10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18657 ((2S,5R)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@H]1CN([C@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18639 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncn1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N6O/c1-12-10-28(18(29)26-17-5-6-24-11-25-17)13(2)9-27(12)15-4-3-14(8-23)16(7-15)19(20,21)22/h3-7,11-13H,9-10H2,1-2H3,(H,24,25,26,29)/t12-,13+/m0/s1	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	4.60E+3	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18635 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccn1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-18-5-3-4-8-25-18)14(2)11-27(13)16-7-6-15(10-24)17(9-16)20(21,22)23/h3-9,13-14H,11-12H2,1-2H3,(H,25,26,29)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18641 (3-{[(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc[n+]([O-])c1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2/c1-13-11-28(19(29)25-16-4-3-7-26(30)12-16)14(2)10-27(13)17-6-5-15(9-24)18(8-17)20(21,22)23/h3-8,12-14H,10-11H2,1-2H3,(H,25,29)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18638 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ncccn1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N6O/c1-12-11-28(18(29)26-17-24-6-3-7-25-17)13(2)10-27(12)15-5-4-14(9-23)16(8-15)19(20,21)22/h3-8,12-13H,10-11H2,1-2H3,(H,24,25,26,29)/t12-,13+/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18658 ((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(=O)[nH]c1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N5O2/c1-12-11-28(19(30)26-15-4-6-18(29)25-9-15)13(2)10-27(12)16-5-3-14(8-24)17(7-16)20(21,22)23/h3-7,9,12-13H,10-11H2,1-2H3,(H,25,29)(H,26,30)/t12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.8	n/a
Astellas Pharma Inc.					Assay Description Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...				J Med Chem 49: 716-26 (2006) Article DOI: 10.1021/jm050293c BindingDB Entry DOI: 10.7270/Q2P84952
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213241 (US9278968, 1) Show SMILES CCc1nnc(o1)C(C)(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12 Show InChI InChI=1S/C23H23F2N5O4/c1-4-18-28-29-22(34-18)23(3,12-31)27-21(32)19-13(2)26-20-17(9-6-10-30(19)20)33-11-14-15(24)7-5-8-16(14)25/h5-10,31H,4,11-12H2,1-3H3,(H,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213242 (US9278968, 2) Show SMILES Cc1ncc(s1)C(C)(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12 Show InChI InChI=1S/C23H22F2N4O3S/c1-13-20(22(31)28-23(3,12-30)19-10-26-14(2)33-19)29-9-5-8-18(21(29)27-13)32-11-15-16(24)6-4-7-17(15)25/h4-10,30H,11-12H2,1-3H3,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213243 (US9278968, 3) Show SMILES Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C26H31N3O5/c1-17-22(24(31)28-26(2,16-30)20-11-6-10-19(14-20)25(32)33)29-13-7-12-21(23(29)27-17)34-15-18-8-4-3-5-9-18/h6-7,10-14,18,30H,3-5,8-9,15-16H2,1-2H3,(H,28,31)(H,32,33)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213244 (US9278968, 4) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(CO)c1ccc(CO)cc1 Show InChI InChI=1S/C26H25F2N3O4/c1-16-23(25(34)30-26(2,15-33)18-10-8-17(13-32)9-11-18)31-12-4-7-22(24(31)29-16)35-14-19-20(27)5-3-6-21(19)28/h3-12,32-33H,13-15H2,1-2H3,(H,30,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213245 (US9278968, 5) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCc1ccccc1C(O)CO Show InChI InChI=1S/C25H23F2N3O4/c1-15-23(25(33)28-12-16-6-2-3-7-17(16)21(32)13-31)30-11-5-10-22(24(30)29-15)34-14-18-19(26)8-4-9-20(18)27/h2-11,21,31-32H,12-14H2,1H3,(H,28,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213246 (US9278968, 6) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(CO)c1nnn(n1)C(F)F Show InChI InChI=1S/C21H19F4N7O3/c1-11-16(18(34)27-21(2,10-33)19-28-30-32(29-19)20(24)25)31-8-4-7-15(17(31)26-11)35-9-12-13(22)5-3-6-14(12)23/h3-8,20,33H,9-10H2,1-2H3,(H,27,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213247 (US9278968, 7a) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(CO)c1nnn(C)n1 Show InChI InChI=1S/C21H21F2N7O3/c1-12-17(19(32)25-21(2,11-31)20-26-28-29(3)27-20)30-9-5-8-16(18(30)24-12)33-10-13-14(22)6-4-7-15(13)23/h4-9,31H,10-11H2,1-3H3,(H,25,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.60E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213249 (US9278968, 8) Show SMILES CCn1nnc(n1)C(C)(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12 Show InChI InChI=1S/C22H23F2N7O3/c1-4-31-28-21(27-29-31)22(3,12-32)26-20(33)18-13(2)25-19-17(9-6-10-30(18)19)34-11-14-15(23)7-5-8-16(14)24/h5-10,32H,4,11-12H2,1-3H3,(H,26,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213250 (US9278968, 9) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1ccccc1 |r| Show InChI InChI=1S/C25H23F2N3O3/c1-16-22(24(32)29-25(2,15-31)17-8-4-3-5-9-17)30-13-7-12-21(23(30)28-16)33-14-18-19(26)10-6-11-20(18)27/h3-13,31H,14-15H2,1-2H3,(H,29,32)/t25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213252 (US9278968, 11) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1ccccn1 |r| Show InChI InChI=1S/C24H22F2N4O3/c1-15-21(23(32)29-24(2,14-31)20-10-3-4-11-27-20)30-12-6-9-19(22(30)28-15)33-13-16-17(25)7-5-8-18(16)26/h3-12,31H,13-14H2,1-2H3,(H,29,32)/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213253 (US9278968, 12) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C26H24F2N4O4/c1-15-22(25(35)31-26(2,14-33)17-7-3-6-16(12-17)23(29)34)32-11-5-10-21(24(32)30-15)36-13-18-19(27)8-4-9-20(18)28/h3-12,33H,13-14H2,1-2H3,(H2,29,34)(H,31,35)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213254 (US9278968, 13) Show SMILES Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C26H32N4O4/c1-17-22(25(33)29-26(2,16-31)20-11-6-10-19(14-20)23(27)32)30-13-7-12-21(24(30)28-17)34-15-18-8-4-3-5-9-18/h6-7,10-14,18,31H,3-5,8-9,15-16H2,1-2H3,(H2,27,32)(H,29,33)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	840	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213255 (US9278968, 14) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(C)(CO)c1ncccn1 Show InChI InChI=1S/C23H21F2N5O3/c1-14-19(21(32)29-23(2,13-31)22-26-9-5-10-27-22)30-11-4-8-18(20(30)28-14)33-12-15-16(24)6-3-7-17(15)25/h3-11,31H,12-13H2,1-2H3,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213256 (US9278968, 15) Show SMILES Cc1nc2c(OCc3ccccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(CO)c1 |r| Show InChI InChI=1S/C26H26FN3O4/c1-17-23(25(33)29-26(2,16-32)20-9-5-7-18(13-20)14-31)30-12-6-11-22(24(30)28-17)34-15-19-8-3-4-10-21(19)27/h3-13,31-32H,14-16H2,1-2H3,(H,29,33)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213257 (US9278968, 16) Show SMILES Cc1cnc(s1)[C@H](CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12 |r| Show InChI InChI=1S/C22H20F2N4O3S/c1-12-9-25-22(32-12)17(10-29)27-21(30)19-13(2)26-20-18(7-4-8-28(19)20)31-11-14-15(23)5-3-6-16(14)24/h3-9,17,29H,10-11H2,1-2H3,(H,27,30)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213259 (US9278968, 18) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1ccccc1F |r| Show InChI InChI=1S/C25H22F3N3O3/c1-15-22(24(33)30-25(2,14-32)17-7-3-4-8-20(17)28)31-12-6-11-21(23(31)29-15)34-13-16-18(26)9-5-10-19(16)27/h3-12,32H,13-14H2,1-2H3,(H,30,33)/t25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM213260 (US9278968, 19) Show SMILES Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@](C)(CO)c1ncc(CO)s1 |r| Show InChI InChI=1S/C23H22F2N4O4S/c1-13-19(21(32)28-23(2,12-31)22-26-9-14(10-30)34-22)29-8-4-7-18(20(29)27-13)33-11-15-16(24)5-3-6-17(15)25/h3-9,30-31H,10-12H2,1-2H3,(H,28,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description Using an sGCα 1 gene (NCBI accession No. BC028384.2) and an sGCβ1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&a...				US Patent US9278968 (2016) BindingDB Entry DOI: 10.7270/Q2T43RXS
					More data for this Ligand-Target Pair

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