Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'törmäkangas' and Initial = 'o'   

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))	BDBM309987 (N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1C)NC(=O)c1csc(n1)C(C)O Show InChI InChI=1S/C20H20ClN5O2S/c1-11(23-19(28)17-10-29-20(24-17)13(3)27)9-26-7-6-16(25-26)15-5-4-14(8-22)18(21)12(15)2/h4-7,10-11,13,27H,9H2,1-3H3,(H,23,28)/t11-,13?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508526 (N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(CCO)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309973 ((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1 Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309973 ((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1 Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309982 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)-c1csc(C)n1 Show InChI InChI=1S/C21H18ClN7OS/c1-12(24-21(30)19-8-18(26-27-19)20-11-31-13(2)25-20)10-29-6-5-17(28-29)14-3-4-15(9-23)16(22)7-14/h3-8,11-12H,10H2,1-2H3,(H,24,30)(H,26,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309982 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)-c1csc(C)n1 Show InChI InChI=1S/C21H18ClN7OS/c1-12(24-21(30)19-8-18(26-27-19)20-11-31-13(2)25-20)10-29-6-5-17(28-29)14-3-4-15(9-23)16(22)7-14/h3-8,11-12H,10H2,1-2H3,(H,24,30)(H,26,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309988 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309988 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309990 ((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...) Show SMILES C[C@H](CNC(=O)c1csc(CC#N)n1)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1 Show InChI InChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508530 ((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...) Show SMILES C[C@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(F)c1)NC(=O)c1csc(CC#N)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309981 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES CCc1noc(n1)C(=O)N[C@@H](C)Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C18H17ClN6O2/c1-3-16-22-18(27-24-16)17(26)21-11(2)10-25-7-6-15(23-25)12-4-5-13(9-20)14(19)8-12/h4-8,11H,3,10H2,1-2H3,(H,21,26)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508521 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(no1)-c1cccnc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508534 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1n[nH]c2CCOCc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508519 (N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(CCO)n[nH]1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309979 (N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O Show InChI InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309995 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1[nH]nc2CCOCc12 Show InChI InChI=1S/C20H19ClN6O2/c1-12(23-20(28)19-15-11-29-7-5-18(15)24-25-19)10-27-6-4-17(26-27)13-2-3-14(9-22)16(21)8-13/h2-4,6,8,12H,5,7,10-11H2,1H3,(H,23,28)(H,24,25)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309992 ((S)-N-{1-[3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1 Show InChI InChI=1S/C18H16ClFN6O/c1-10(23-18(27)17-8-22-11(2)24-17)9-26-4-3-16(25-26)12-5-14(19)13(7-21)15(20)6-12/h3-6,8,10H,9H2,1-2H3,(H,22,24)(H,23,27)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309976 ((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309992 ((S)-N-{1-[3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1 Show InChI InChI=1S/C18H16ClFN6O/c1-10(23-18(27)17-8-22-11(2)24-17)9-26-4-3-16(25-26)12-5-14(19)13(7-21)15(20)6-12/h3-6,8,10H,9H2,1-2H3,(H,22,24)(H,23,27)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309976 ((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508523 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(C)no1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309983 (N-((R)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES CC[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O Show InChI InChI=1S/C20H21ClN6O2/c1-3-15(23-20(29)19-9-18(12(2)28)24-25-19)11-27-7-6-17(26-27)13-4-5-14(10-22)16(21)8-13/h4-9,12,15,28H,3,11H2,1-2H3,(H,23,29)(H,24,25)/t12?,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309980 (N-(2-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)e...) Show SMILES Cc1cc(ccc1C#N)-c1ccn(CCNC(=O)c2cc(n[nH]2)-c2cccnc2)n1 Show InChI InChI=1S/C22H19N7O/c1-15-11-16(4-5-17(15)13-23)19-6-9-29(28-19)10-8-25-22(30)21-12-20(26-27-21)18-3-2-7-24-14-18/h2-7,9,11-12,14H,8,10H2,1H3,(H,25,30)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309980 (N-(2-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)e...) Show SMILES Cc1cc(ccc1C#N)-c1ccn(CCNC(=O)c2cc(n[nH]2)-c2cccnc2)n1 Show InChI InChI=1S/C22H19N7O/c1-15-11-16(4-5-17(15)13-23)19-6-9-29(28-19)10-8-25-22(30)21-12-20(26-27-21)18-3-2-7-24-14-18/h2-7,9,11-12,14H,8,10H2,1H3,(H,25,30)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309993 ((S)-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1cn2cccnc2n1 Show InChI InChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309993 ((S)-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1cn2cccnc2n1 Show InChI InChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309978 (N-(2-(3-(3,4-dicyanophenyl)-1H-pyrazol-1-yl)ethyl)...) Show SMILES O=C(NCCn1ccc(n1)-c1ccc(C#N)c(c1)C#N)c1cc(n[nH]1)-c1cccnc1 Show InChI InChI=1S/C22H16N8O/c23-12-16-4-3-15(10-18(16)13-24)19-5-8-30(29-19)9-7-26-22(31)21-11-20(27-28-21)17-2-1-6-25-14-17/h1-6,8,10-11,14H,7,9H2,(H,26,31)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309978 (N-(2-(3-(3,4-dicyanophenyl)-1H-pyrazol-1-yl)ethyl)...) Show SMILES O=C(NCCn1ccc(n1)-c1ccc(C#N)c(c1)C#N)c1cc(n[nH]1)-c1cccnc1 Show InChI InChI=1S/C22H16N8O/c23-12-16-4-3-15(10-18(16)13-24)19-5-8-30(29-19)9-7-26-22(31)21-11-20(27-28-21)17-2-1-6-25-14-17/h1-6,8,10-11,14H,7,9H2,(H,26,31)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309986 ((R)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)N1CCOCC1 Show InChI InChI=1S/C21H21ClN6O2S/c1-14(24-20(29)19-13-31-21(25-19)27-6-8-30-9-7-27)12-28-5-4-18(26-28)15-2-3-16(11-23)17(22)10-15/h2-5,10,13-14H,6-9,12H2,1H3,(H,24,29)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309986 ((R)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)N1CCOCC1 Show InChI InChI=1S/C21H21ClN6O2S/c1-14(24-20(29)19-13-31-21(25-19)27-6-8-30-9-7-27)12-28-5-4-18(26-28)15-2-3-16(11-23)17(22)10-15/h2-5,10,13-14H,6-9,12H2,1H3,(H,24,29)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309991 ((S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1 Show InChI InChI=1S/C18H17ClN6O/c1-11(22-18(26)17-9-21-12(2)23-17)10-25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,9,11H,10H2,1-2H3,(H,21,23)(H,22,26)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309991 ((S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1 Show InChI InChI=1S/C18H17ClN6O/c1-11(22-18(26)17-9-21-12(2)23-17)10-25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,9,11H,10H2,1-2H3,(H,21,23)(H,22,26)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309985 (N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(on1)C(C)O Show InChI InChI=1S/C19H18ClN5O3/c1-11(22-19(27)17-8-18(12(2)26)28-24-17)10-25-6-5-16(23-25)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,26H,10H2,1-2H3,(H,22,27)/t11-,12?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508524 (N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1noc(CCO)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309989 ((S)-3-acetyl-N-(2-(3-(4-cyano-3,5-difluorophenyl)-...) Show SMILES C[C@@H](CNC(=O)c1cc(n[nH]1)C(C)=O)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1 Show InChI InChI=1S/C19H16F2N6O2/c1-10(9-23-19(29)18-7-17(11(2)28)24-25-18)27-4-3-16(26-27)12-5-14(20)13(8-22)15(21)6-12/h3-7,10H,9H2,1-2H3,(H,23,29)(H,24,25)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309976 ((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					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 US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM309994 (US9657003, Bicalutamide) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)[c](=O):c:n-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F4N2O4S/c1-18(27,11-30(28,29)15-6-3-13(20)4-7-15)17(26)10-25-14-5-2-12(9-24)16(8-14)19(21,22)23/h2-8,10,27H,11H2,1H3/b25-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309972 (N-(2-(5-(3,4-dichlorophenyl)furan-2-yl)ethyl)-3-(m...) Show SMILES Clc1ccc(cc1Cl)-c1ccc(CCNC(=O)c2cc(n[nH]2)C(=O)N2CCOCC2)o1 Show InChI InChI=1S/C21H20Cl2N4O4/c22-15-3-1-13(11-16(15)23)19-4-2-14(31-19)5-6-24-20(28)17-12-18(26-25-17)21(29)27-7-9-30-10-8-27/h1-4,11-12H,5-10H2,(H,24,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508515 (N-(2-(5-(3,4-dichlorophenyl)furan-2-yl)ethyl)-3-(m...) Show SMILES Clc1cccc(-c2ccc(CNC(=O)c3cc(n[nH]3)C(=O)N3CCOCC3)o2)c1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508526 (N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(CCO)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA					Assay Description Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309987 (N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1C)NC(=O)c1csc(n1)C(C)O Show InChI InChI=1S/C20H20ClN5O2S/c1-11(23-19(28)17-10-29-20(24-17)13(3)27)9-26-7-6-16(25-26)15-5-4-14(8-22)18(21)12(15)2/h4-7,10-11,13,27H,9H2,1-3H3,(H,23,28)/t11-,13?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309988 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309988 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508530 ((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...) Show SMILES C[C@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(F)c1)NC(=O)c1csc(CC#N)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309990 ((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...) Show SMILES C[C@H](CNC(=O)c1csc(CC#N)n1)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1 Show InChI InChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309973 ((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1 Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309973 ((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1 Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
ORION CORPORATION US Patent					Assay Description Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...				US Patent US9657003 (2017) BindingDB Entry DOI: 10.7270/Q2NS0X0M
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM309992 ((S)-N-{1-[3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-p...) Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1 Show InChI InChI=1S/C18H16ClFN6O/c1-10(23-18(27)17-8-22-11(2)24-17)9-26-4-3-16(25-26)12-5-14(19)13(7-21)15(20)6-12/h3-6,8,10H,9H2,1-2H3,(H,22,24)(H,23,27)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM508534 ((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...) Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1n[nH]c2CCOCc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expressio...				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5JSP
					More data for this Ligand-Target Pair

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