Compile Data Set for Download or QSAR

Found 433 hits with Last Name = 'cherkasov' 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
Sex hormone-binding globulin (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human SHBG				J Med Chem 49: 7466-78 (2006) Article DOI: 10.1021/jm060961+ BindingDB Entry DOI: 10.7270/Q23X87G2
					More data for this Ligand-Target Pair				3D Structure (docked)
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402636 (CHEMBL2206712) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H11BrF3N3O2/c1-7(23-24-17(26)10-4-8(18)2-3-14(10)25)12-5-9-13(22-12)6-11(19)16(21)15(9)20/h2-6,22,25H,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402630 (CHEMBL2206719) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C |w:2.2| Show InChI InChI=1S/C18H15Br2N3O2/c1-10(15-7-11-3-4-13(20)9-16(11)23(15)2)21-22-18(25)14-8-12(19)5-6-17(14)24/h3-9,24H,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402598 (CHEMBL2206157) Show SMILES CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1 |w:3.3| Show InChI InChI=1S/C22H18BrN3O2/c1-2-18(20-11-15-9-16(23)7-8-19(15)24-20)25-26-22(28)17-10-13-5-3-4-6-14(13)12-21(17)27/h3-12,24,27H,2H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402638 (CHEMBL2206709) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)c(F)cc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H12BrF2N3O2/c1-8(14-5-9-4-12(19)13(20)7-15(9)21-14)22-23-17(25)11-6-10(18)2-3-16(11)24/h2-7,21,24H,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402639 (CHEMBL2206708) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H13Br2N3O2/c1-9(14-6-10-2-3-12(19)8-15(10)20-14)21-22-17(24)13-7-11(18)4-5-16(13)23/h2-8,20,23H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402637 (CHEMBL2206710) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)ccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H12BrF2N3O2/c1-8(14-7-10-13(21-14)4-3-12(19)16(10)20)22-23-17(25)11-6-9(18)2-5-15(11)24/h2-7,21,24H,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402600 (CHEMBL2206155) Show SMILES CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1 |w:2.2| Show InChI InChI=1S/C21H16BrN3O2/c1-12(19-10-15-8-16(22)6-7-18(15)23-19)24-25-21(27)17-9-13-4-2-3-5-14(13)11-20(17)26/h2-11,23,26H,1H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573397 (CHEMBL4856070) Show SMILES Fc1ccc2c(c[nH]c2c1Cl)-c1ccc2ccccc2n1 Show InChI	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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573398 (CHEMBL4845915) Show SMILES Fc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1 Show InChI	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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402599 (CHEMBL2206156) Show SMILES CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2[nH]1 |w:3.3| Show InChI InChI=1S/C22H16F3N3O2/c1-2-16(18-9-13-17(26-18)10-15(23)21(25)20(13)24)27-28-22(30)14-7-11-5-3-4-6-12(11)8-19(14)29/h3-10,26,29H,2H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573411 (CHEMBL4849023) Show SMILES FC(F)CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12 Show InChI	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	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402601 (CHEMBL2206154) Show SMILES CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2[nH]1 |w:2.2| Show InChI InChI=1S/C21H17N3O2/c1-13(19-11-16-8-4-5-9-18(16)22-19)23-24-21(26)17-10-14-6-2-3-7-15(14)12-20(17)25/h2-12,22,25H,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402642 (CHEMBL2206703) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(I)ccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H13BrIN3O2/c1-9(15-7-10-6-12(19)3-4-14(10)20-15)21-22-17(24)13-8-11(18)2-5-16(13)23/h2-8,20,23H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402645 (CHEMBL2206725) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H13BrFN3O2/c1-9(15-7-10-6-12(19)3-4-14(10)20-15)21-22-17(24)13-8-11(18)2-5-16(13)23/h2-8,20,23H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402607 (CHEMBL2206141) Show SMILES CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2[nH]1 |w:3.3| Show InChI InChI=1S/C18H15Br2N3O2/c1-2-14(16-8-10-7-11(19)3-5-15(10)21-16)22-23-18(25)13-9-12(20)4-6-17(13)24/h3-9,21,24H,2H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402643 (CHEMBL2206702) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H13Br2N3O2/c1-9(15-7-10-6-11(18)2-4-14(10)20-15)21-22-17(24)13-8-12(19)3-5-16(13)23/h2-8,20,23H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Sex hormone-binding globulin (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human SHBG				J Med Chem 49: 7466-78 (2006) Article DOI: 10.1021/jm060961+ BindingDB Entry DOI: 10.7270/Q23X87G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Vancouver Prostate Centre (VPC) Curated by ChEMBL					Assay Description Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...				Eur J Med Chem 157: 1164-1173 (2018) Article DOI: 10.1016/j.ejmech.2018.08.059 BindingDB Entry DOI: 10.7270/Q2183967
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402594 (CHEMBL2206161) Show SMILES CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C |w:3.3| Show InChI InChI=1S/C23H18F3N3O2/c1-3-17(19-10-14-18(29(19)2)11-16(24)22(26)21(14)25)27-28-23(31)15-8-12-6-4-5-7-13(12)9-20(15)30/h4-11,30H,3H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402646 (CHEMBL2206726) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Cl)ccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H13BrClN3O2/c1-9(15-7-10-6-12(19)3-4-14(10)20-15)21-22-17(24)13-8-11(18)2-5-16(13)23/h2-8,20,23H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402627 (CHEMBL2206722) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C |w:2.2| Show InChI InChI=1S/C18H13BrF3N3O2/c1-8(23-24-18(27)11-5-9(19)3-4-15(11)26)13-6-10-14(25(13)2)7-12(20)17(22)16(10)21/h3-7,26H,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402595 (CHEMBL2206160) Show SMILES CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C |w:2.2| Show InChI InChI=1S/C22H16F3N3O2/c1-11(17-9-14-18(28(17)2)10-16(23)21(25)20(14)24)26-27-22(30)15-7-12-5-3-4-6-13(12)8-19(15)29/h3-10,29H,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573399 (CHEMBL4870389) Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402629 (CHEMBL2206720) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)c(F)cc2n1C |w:2.2| Show InChI InChI=1S/C18H14BrF2N3O2/c1-9(22-23-18(26)12-7-11(19)3-4-17(12)25)15-6-10-5-13(20)14(21)8-16(10)24(15)2/h3-8,25H,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402617 (CHEMBL2206174) Show SMILES CCOc1ccc(Br)cc1C(=O)NN=C(C)c1cc2ccccc2[nH]1 |w:13.13| Show InChI InChI=1S/C19H18BrN3O2/c1-3-25-18-9-8-14(20)11-15(18)19(24)23-22-12(2)17-10-13-6-4-5-7-16(13)21-17/h4-11,21H,3H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402615 (CHEMBL2206176) Show SMILES CC(=NNC(=O)c1ccccc1OCC#C)c1cc2cc(Br)ccc2[nH]1 |w:2.2| Show InChI InChI=1S/C20H16BrN3O2/c1-3-10-26-19-7-5-4-6-16(19)20(25)24-23-13(2)18-12-14-11-15(21)8-9-17(14)22-18/h1,4-9,11-12,22H,10H2,2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573413 (CHEMBL4847082) Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)-c1cncs1 Show InChI	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	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573412 (CHEMBL4872533) Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(=O)NC1CC1 Show InChI	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	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402614 (CHEMBL2206177) Show SMILES CC(=NNC(=O)c1cc(Br)cc(Br)c1O)c1cc2ccccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H13Br2N3O2/c1-9(15-6-10-4-2-3-5-14(10)20-15)21-22-17(24)12-7-11(18)8-13(19)16(12)23/h2-8,20,23H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402596 (CHEMBL2206159) Show SMILES CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C |w:3.3| Show InChI InChI=1S/C23H20BrN3O2/c1-3-19(21-12-16-10-17(24)8-9-20(16)27(21)2)25-26-23(29)18-11-14-6-4-5-7-15(14)13-22(18)28/h4-13,28H,3H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402644 (CHEMBL2206724) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H14BrN3O2/c1-10(15-8-11-4-2-3-5-14(11)19-15)20-21-17(23)13-9-12(18)6-7-16(13)22/h2-9,19,22H,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573390 (CHEMBL4852876) Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2ccccc2n1 Show InChI	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	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Vancouver Prostate Centre (VPC) Curated by ChEMBL					Assay Description Inhibition of R1881-induced full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct after 72 hrs by fluorescence ...				Eur J Med Chem 157: 1164-1173 (2018) Article DOI: 10.1016/j.ejmech.2018.08.059 BindingDB Entry DOI: 10.7270/Q2183967
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402624 (CHEMBL2206164) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1 |w:2.2| Show InChI InChI=1S/C16H13BrN4O2/c1-9(15-18-12-4-2-3-5-13(12)19-15)20-21-16(23)11-8-10(17)6-7-14(11)22/h2-8,22H,1H3,(H,18,19)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50469124 (CHEMBL113332) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8])c1 Show InChI InChI=1S/C22H16O3/c1-25-15-11-10-14(21(23)13-15)12-20-16-6-2-4-8-18(16)22(24)19-9-5-3-7-17(19)20/h2-13,23H,1H3	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Vancouver Prostate Centre (VPC) Curated by ChEMBL					Assay Description Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...				Eur J Med Chem 157: 1164-1173 (2018) Article DOI: 10.1016/j.ejmech.2018.08.059 BindingDB Entry DOI: 10.7270/Q2183967
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573396 (CHEMBL4875734) Show SMILES Clc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1 Show InChI	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	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573395 (CHEMBL4870138) Show SMILES Fc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1 Show InChI	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	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573408 (CHEMBL4857183) Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(F)c2n1 Show InChI	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	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50497999 (CHEMBL3323483) Show SMILES Brc1ncn(c1Br)-c1csc(n1)N1CCOCC1 Show InChI InChI=1S/C10H10Br2N4OS/c11-8-9(12)16(6-13-8)7-5-18-10(14-7)15-1-3-17-4-2-15/h5-6H,1-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay				J Med Chem 57: 6458-67 (2014) Article DOI: 10.1021/jm500802j BindingDB Entry DOI: 10.7270/Q22V2K30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573414 (CHEMBL4876258) Show SMILES CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12 Show InChI	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	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402597 (CHEMBL2206158) Show SMILES CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C |w:2.2| Show InChI InChI=1S/C22H18BrN3O2/c1-13(20-11-16-9-17(23)7-8-19(16)26(20)2)24-25-22(28)18-10-14-5-3-4-6-15(14)12-21(18)27/h3-12,27H,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402609 (CHEMBL2206139) Show SMILES CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2[nH]1 |w:3.3| Show InChI InChI=1S/C18H16BrN3O2/c1-2-14(16-9-11-5-3-4-6-15(11)20-16)21-22-18(24)13-10-12(19)7-8-17(13)23/h3-10,20,23H,2H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573394 (CHEMBL4852991) Show SMILES Fc1cc(Cl)cc2c(c[nH]c12)-c1ccc2ccccc2n1 Show InChI	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	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402628 (CHEMBL2206721) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)ccc2n1C |w:2.2| Show InChI InChI=1S/C18H14BrF2N3O2/c1-9(22-23-18(26)12-7-10(19)3-6-16(12)25)15-8-11-14(24(15)2)5-4-13(20)17(11)21/h3-8,25H,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402632 (CHEMBL2206716) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C |w:2.2| Show InChI InChI=1S/C18H15Br2N3O2/c1-10(16-8-11-7-12(19)3-5-15(11)23(16)2)21-22-18(25)14-9-13(20)4-6-17(14)24/h3-9,24H,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50498008 (CHEMBL3323487) Show SMILES Oc1c(F)cccc1-c1csc(n1)N1CCOCC1 Show InChI InChI=1S/C13H13FN2O2S/c14-10-3-1-2-9(12(10)17)11-8-19-13(15-11)16-4-6-18-7-5-16/h1-3,8,17H,4-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days				J Med Chem 57: 6458-67 (2014) Article DOI: 10.1021/jm500802j BindingDB Entry DOI: 10.7270/Q22V2K30
					More data for this Ligand-Target Pair
Pyruvate kinase (Staphylococcus aureus (strain MRSA252))	BDBM50402619 (CHEMBL2206171) Show SMILES CC(=NNC(=O)c1cc(I)ccc1O)c1cc2ccccc2[nH]1 |w:2.2| Show InChI InChI=1S/C17H14IN3O2/c1-10(15-8-11-4-2-3-5-14(11)19-15)20-21-17(23)13-9-12(18)6-7-16(13)22/h2-9,19,22H,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573410 (CHEMBL4871740) Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(Br)c2n1 Show InChI	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	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair

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