Compile Data Set for Download or QSAR

Found 717 hits with Last Name = 'sala' and Initial = 'a'   

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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21216 (2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...) Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1 Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50432208 (CHEMBL2347110) Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Cc1ccccc1 |r| Show InChI InChI=1S/C17H18N2O3/c1-22-16-10-15-12(9-14(18)17(20)19(15)21)8-13(16)7-11-5-3-2-4-6-11/h2-6,8,10,14,21H,7,9,18H2,1H3/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis				Bioorg Med Chem Lett 23: 1961-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50426340 (CHEMBL2321943) Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r| Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis				ACS Med Chem Lett 4: 37-40 (2013) Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107730 (CHEMBL2347108 | US8933095, 14) Show SMILES N[C@H]1Cc2cn(nc2N(O)C1=O)-c1ccccc1 |r| Show InChI InChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16(18)12(10)17/h1-5,7,10,18H,6,13H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis				Bioorg Med Chem Lett 23: 1961-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50179306 (2-(4-(methylthio)-1H-benzo[d]imidazol-2-yl)quinoxa...) Show SMILES CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12N4S/c1-21-14-8-4-7-12-15(14)20-16(19-12)13-9-17-10-5-2-3-6-11(10)18-13/h2-9H,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					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	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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50179304 (2-(6-chloro-4-methyl-1H-benzo[d]imidazol-2-yl)quin...) Show SMILES Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H11ClN4/c1-9-6-10(17)7-13-15(9)21-16(20-13)14-8-18-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50426341 (CHEMBL2321944) Show SMILES N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O |r| Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis				ACS Med Chem Lett 4: 37-40 (2013) Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225657 (CHEMBL173570) Show SMILES CS(O)(=O)=O.CC(c1ccccc1)n1nc(c2CNCCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H20FN3.CH4O3S/c1-14(15-5-3-2-4-6-15)24-19-11-12-22-13-18(19)20(23-24)16-7-9-17(21)10-8-16;1-5(2,3)4/h2-10,14,22H,11-13H2,1H3;1H3,(H,2,3,4)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50386310 (CHEMBL2049092) Show SMILES COc1ccc2C[C@H](N)C(=O)N(O)c2c1 |r| Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis				ACS Med Chem Lett 4: 37-40 (2013) Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV
					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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225567 (CHEMBL559369) Show SMILES Cl.CC(c1ccccc1)n1nc(c2CN(C)CCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C21H22FN3.ClH/c1-15(16-6-4-3-5-7-16)25-20-12-13-24(2)14-19(20)21(23-25)17-8-10-18(22)11-9-17;/h3-11,15H,12-14H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225661 (CHEMBL173988) Show SMILES CS(O)(=O)=O.CCCCCn1nc(c2CNCCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C17H22FN3/c1-2-3-4-11-21-16-9-10-19-12-15(16)17(20-21)13-5-7-14(18)8-6-13/h5-8,19H,2-4,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50185264 (CHEMBL204841 | N-((1H-pyrrol-3-yl)methyl)-2-(5-nit...) Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3cc[nH]c3)c2c1 Show InChI InChI=1S/C15H12N4O4/c20-14(15(21)18-7-9-3-4-16-6-9)12-8-17-13-2-1-10(19(22)23)5-11(12)13/h1-6,8,16-17H,7H2,(H,18,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells				J Med Chem 49: 2489-95 (2006) Article DOI: 10.1021/jm0511841 BindingDB Entry DOI: 10.7270/Q25B038F
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50179293 (2-(4,6-dichloro-1H-benzo[d]imidazol-2-yl)quinoxali...) Show SMILES Clc1cc(Cl)c2[nH]c(nc2c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C15H8Cl2N4/c16-8-5-9(17)14-12(6-8)20-15(21-14)13-7-18-10-3-1-2-4-11(10)19-13/h1-7H,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50610836 (MSC-4381) Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccc(Cl)cc1C#Cc1cnc(cc1OC)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50610833 (CHEMBL5276884) Show SMILES COc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1cnc(C(O)=O)c(C)c1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107747 (CHEMBL2347115 | US8933095, 4) Show SMILES N[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O |r| Show InChI InChI=1S/C13H14N4O2/c14-10-6-11-12(17(19)13(10)18)7-15-16(11)8-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8,14H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis				Bioorg Med Chem Lett 23: 1961-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48
					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))	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))	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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225573 (CHEMBL173140) Show SMILES CS(O)(=O)=O.Fc1ccc(cc1)-c1nn(CCCc2ccccc2)c2CCNCc12 Show InChI InChI=1S/C21H22FN3/c22-18-10-8-17(9-11-18)21-19-15-23-13-12-20(19)25(24-21)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,23H,4,7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225671 (CHEMBL369407) Show SMILES CS(O)(=O)=O.CCCCCCn1nc(c2CNCCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H24FN3/c1-2-3-4-5-12-22-17-10-11-20-13-16(17)18(21-22)14-6-8-15(19)9-7-14/h6-9,20H,2-5,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					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))	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))	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))	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))	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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50386292 (CHEMBL2047851) Show SMILES N[C@H]1Cc2ccccc2N(O)C1=O |r| Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis				ACS Med Chem Lett 4: 37-40 (2013) Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50386292 (CHEMBL2047851) Show SMILES N[C@H]1Cc2ccccc2N(O)C1=O |r| Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis				Bioorg Med Chem Lett 23: 1961-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225570 (CHEMBL171362) Show SMILES CS(O)(=O)=O.CCCCCCn1nc(c2CN(C)CCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H26FN3/c1-3-4-5-6-12-23-18-11-13-22(2)14-17(18)19(21-23)15-7-9-16(20)10-8-15/h7-10H,3-6,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225576 (CHEMBL535357) Show SMILES Cl.Fc1ccc(cc1)-c1nn(Cc2ccccc2)c2CCNCc12 Show InChI InChI=1S/C19H18FN3/c20-16-8-6-15(7-9-16)19-17-12-21-11-10-18(17)23(22-19)13-14-4-2-1-3-5-14/h1-9,21H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.				J Med Chem 28: 934-40 (1985) BindingDB Entry DOI: 10.7270/Q29C70NC
					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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50610834 (CHEMBL5279064) Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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))	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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50610835 (CHEMBL5267349) Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1cnc(cc1OC)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50610830 (CHEMBL5267752) Show SMILES Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccccc1C#Cc1ccc(nc1)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50610837 (CHEMBL5281492) Show SMILES CCOc1ccc(c2ncccc12)S(=O)(=O)Nc1ccccc1C#Cc1cnc(C(O)=O)c(NC)c1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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