Compile Data Set for Download or QSAR

Found 5606 hits with Last Name = 'rodriguez' and Initial = 'j'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aix-Marseille Universit£ Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 19: 6736-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.112 BindingDB Entry DOI: 10.7270/Q2VT1S67
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aix-Marseille Universit£ Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 19: 6736-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.112 BindingDB Entry DOI: 10.7270/Q2VT1S67
					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	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aix-Marseille Universit£ Curated by ChEMBL					Assay Description Binding affinity to adenosine receptor A1				Bioorg Med Chem Lett 19: 6736-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.112 BindingDB Entry DOI: 10.7270/Q2VT1S67
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25298 ((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...) Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Trypanosoma brucei farnesyl pyrophosphate synthase activity				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50132606 ((1-Phosphono-nonyl)-phosphonic acid | CHEMBL111695) Show SMILES CCCCCCCCC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H22O6P2/c1-2-3-4-5-6-7-8-9(16(10,11)12)17(13,14)15/h9H,2-8H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50097889 ((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...) Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl diphosphate synthase (Trypanosoma cruzi)	BDBM25298 ((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...) Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi FPPS				Bioorg Med Chem 16: 3283-90 (2008) Article DOI: 10.1016/j.bmc.2007.12.010 BindingDB Entry DOI: 10.7270/Q2JD4XPC
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25298 ((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...) Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50132608 ((1-Phosphono-hexyl)-phosphonic acid | CHEMBL280463) Show SMILES CCCCCC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O6P2/c1-2-3-4-5-6(13(7,8)9)14(10,11)12/h6H,2-5H2,1H3,(H2,7,8,9)(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50132600 ((1-Phosphono-heptyl)-phosphonic acid | CHEMBL32208...) Show SMILES CCCCCCC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H18O6P2/c1-2-3-4-5-6-7(14(8,9)10)15(11,12)13/h7H,2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25265 ((1-hydroxy-1-phosphonononyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299696 ((2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-y...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)C(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc2ncnc(NC3CCCC3)c2[nH]1 |r| Show InChI InChI=1S/C39H50N8O5/c1-3-30(48)47(29-18-21-46(22-19-29)20-17-25-9-5-4-6-10-25)28-15-13-26(14-16-28)24(2)42-39(51)35-33(50)32(49)34(52-35)38-44-31-36(40-23-41-37(31)45-38)43-27-11-7-8-12-27/h4-6,9-10,13-16,23-24,27,29,32-35,49-50H,3,7-8,11-12,17-22H2,1-2H3,(H,42,51)(H2,40,41,43,44,45)/t24?,32-,33+,34-,35+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	728	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aix-Marseille Universit£ Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 19: 6736-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.112 BindingDB Entry DOI: 10.7270/Q2VT1S67
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31373 (CHEMBL28137 | terephthalamide scaffold, 9) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	780	-34.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50132602 ((1-Phosphono-pentyl)-phosphonic acid | CHEMBL32255...) Show SMILES CCCCC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H14O6P2/c1-2-3-4-5(12(6,7)8)13(9,10)11/h5H,2-4H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50299696 ((2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-y...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccc(cc1)C(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc2ncnc(NC3CCCC3)c2[nH]1 |r| Show InChI InChI=1S/C39H50N8O5/c1-3-30(48)47(29-18-21-46(22-19-29)20-17-25-9-5-4-6-10-25)28-15-13-26(14-16-28)24(2)42-39(51)35-33(50)32(49)34(52-35)38-44-31-36(40-23-41-37(31)45-38)43-27-11-7-8-12-27/h4-6,9-10,13-16,23-24,27,29,32-35,49-50H,3,7-8,11-12,17-22H2,1-2H3,(H,42,51)(H2,40,41,43,44,45)/t24?,32-,33+,34-,35+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aix-Marseille Universit£ Curated by ChEMBL					Assay Description Binding affinity to adenosine receptor A1				Bioorg Med Chem Lett 19: 6736-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.112 BindingDB Entry DOI: 10.7270/Q2VT1S67
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303176 (2-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxoth...) Show SMILES OS(=O)(=O)CCn1nc(C=CCc2ccccc2)sc1=S |w:10.10| Show InChI InChI=1S/C13H14N2O3S3/c16-21(17,18)10-9-15-13(19)20-12(14-15)8-4-7-11-5-2-1-3-6-11/h1-6,8H,7,9-10H2,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	809	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31374 (CHEMBL286715 | terephthalamide scaffold, 10) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C23H36N2O5/c1-13(2)11-19(23(28)29)24-21(26)18-10-9-17(12-20(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h9-10,12-16,19H,11H2,1-8H3,(H,24,26)(H,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	-34.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31381 (CHEMBL282624 | terephthalamide scaffold, 29) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C26H34N2O5/c1-16(2)14-22(26(31)32)27-24(29)21-13-12-19(25(30)28(17(3)4)18(5)6)15-23(21)33-20-10-8-7-9-11-20/h7-13,15-18,22H,14H2,1-6H3,(H,27,29)(H,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303177 (CHEMBL565369 | N-(4-(benzo[d]oxazol-2-yl)phenyl)-3...) Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)Nc2ccc(cc2)-c2nc3ccccc3o2)o1 Show InChI InChI=1S/C26H17N3O5/c30-25(16-14-19-13-15-23(33-19)20-5-1-3-7-22(20)29(31)32)27-18-11-9-17(10-12-18)26-28-21-6-2-4-8-24(21)34-26/h1-16H,(H,27,30)/b16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31379 (CHEMBL28872 | terephthalamide scaffold, 27) Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31378 (CHEMBL284686 | terephthalamide scaffold, 26) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303178 (5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-thiox...) Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |w:7.8,t:1| Show InChI InChI=1S/C14H8N2O4S2/c17-14-15-13(21)12(22-14)7-10-5-6-11(20-10)8-1-3-9(4-2-8)16(18)19/h1-7H,(H,15,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50132605 ((1-Phosphono-octyl)-phosphonic acid | CHEMBL324003) Show SMILES CCCCCCCC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O6P2/c1-2-3-4-5-6-7-8(15(9,10)11)16(12,13)14/h8H,2-7H2,1H3,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303179 (2-(4-oxo-5-(3-phenylallylidene)-2-thioxothiazolidi...) Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccccc2)C1=O Show InChI InChI=1S/C21H17NO3S2/c23-19-18(13-7-12-15-8-3-1-4-9-15)27-21(26)22(19)17(20(24)25)14-16-10-5-2-6-11-16/h1-13,17H,14H2,(H,24,25)/b12-7+,18-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM11994 (2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...) Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31380 (terephthalamide scaffold, 28) Show SMILES COc1cc(ccc1C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C21H32N2O5/c1-12(2)10-17(21(26)27)22-19(24)16-9-8-15(11-18(16)28-7)20(25)23(13(3)4)14(5)6/h8-9,11-14,17H,10H2,1-7H3,(H,22,24)(H,26,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.31E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31390 (terephthalamide scaffold, 37) Show SMILES CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 |r| Show InChI InChI=1S/C19H28N2O5/c1-7-21(8-2)18(23)14-9-10-15(16(11-14)26-12(3)4)17(22)20-13(5)19(24)25-6/h9-13H,7-8H2,1-6H3,(H,20,22)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.44E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117542 (2-Amino-4-[1-(hydroxycarbamoylmethyl-carbamoyl)-3-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NO Show InChI InChI=1S/C13H24N4O6/c1-7(2)5-9(12(20)15-6-11(19)17-23)16-10(18)4-3-8(14)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)(H,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant against amidase free Glutathionylspermidine Synthetase mutant (C79A)				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303180 (CHEMBL577311 | ethyl 5-(4-bromophenyl)-4,6-dioxo-2...) Show SMILES CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(Br)cc1 Show InChI InChI=1S/C14H10BrN3O4/c1-2-22-14(21)11-9-10(16-17-11)13(20)18(12(9)19)8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303181 (1-(dibenzo[b,d]furan-3-yl)-3-(naphthalen-1-yl)thio...) Show SMILES S=C(Nc1ccc2c(c1)oc1ccccc21)Nc1cccc2ccccc12 Show InChI InChI=1S/C23H16N2OS/c27-23(25-20-10-5-7-15-6-1-2-8-17(15)20)24-16-12-13-19-18-9-3-4-11-21(18)26-22(19)14-16/h1-14H,(H2,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303182 (1,4-dimethoxyanthracene-9,10-dione | CHEMBL570408 ...) Show SMILES COc1ccc(OC)c2C(=O)c3ccccc3C(=O)c12 Show InChI InChI=1S/C16H12O4/c1-19-11-7-8-12(20-2)14-13(11)15(17)9-5-3-4-6-10(9)16(14)18/h3-8H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM28851 (2-[(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylide...) Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O Show InChI InChI=1S/C16H12ClNO5S3/c17-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(19)18(16(24)25-14)6-7-26(20,21)22/h1-5,8-9H,6-7H2,(H,20,21,22)/b14-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31387 (terephthalamide scaffold, 34) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C20H30N2O5/c1-12(2)10-16(20(25)26-7)21-18(23)15-9-8-14(19(24)22(5)6)11-17(15)27-13(3)4/h8-9,11-13,16H,10H2,1-7H3,(H,21,23)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.14E+3	-31.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303184 (5-((5-(2-bromo-4,5-dimethylphenyl)furan-2-yl)methy...) Show SMILES Cc1cc(Br)c(cc1C)-c1ccc(\C=C2/NC(=S)NC2=O)o1 Show InChI InChI=1S/C16H13BrN2O2S/c1-8-5-11(12(17)6-9(8)2)14-4-3-10(21-14)7-13-15(20)19-16(22)18-13/h3-7H,1-2H3,(H2,18,19,20,22)/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31385 (CHEMBL281240 | terephthalamide scaffold, 17) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C23H37N3O4/c1-13(2)11-20(23(29)30)25-21(27)18-10-9-17(12-19(18)24-14(3)4)22(28)26(15(5)6)16(7)8/h9-10,12-16,20,24H,11H2,1-8H3,(H,25,27)(H,29,30)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.31E+3	-31.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303185 ((E/Z)-5-((1H-pyrrol-2-yl)methylene)-1-(3-chlorophe...) Show SMILES Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc[nH]2)C1=O |w:14.15| Show InChI InChI=1S/C15H10ClN3O2S/c16-9-3-1-5-11(7-9)19-14(21)12(13(20)18-15(19)22)8-10-4-2-6-17-10/h1-8,17H,(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM15186 (4-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...) Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12 |w:15.15| Show InChI InChI=1S/C24H15ClN4O3/c1-11-16(21-12(2)18(10-27)23(28)29-22(21)17(11)9-26)8-14-4-6-20(32-14)13-3-5-15(24(30)31)19(25)7-13/h3-8,29H,1,28H2,2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303186 ((E/Z)-5-((5-iodofuran-2-yl)methylene)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(I)o2)C1=O Show InChI InChI=1S/C16H11IN2O4S/c1-22-10-4-2-9(3-5-10)19-15(21)12(14(20)18-16(19)24)8-11-6-7-13(17)23-11/h2-8H,1H3,(H,18,20,24)/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50097884 ((1-hydroxy-1-phosphono-butyl)-phosphonic acid | 1-...) Show SMILES CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H12O7P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h5H,2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31376 (CHEMBL433422 | terephthalamide scaffold, 24) Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C23H36N2O5/c1-13(2)20(23(28)29-9)24-21(26)18-11-10-17(12-19(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h10-16,20H,1-9H3,(H,24,26)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.85E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31383 (terephthalamide scaffold, 31) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N(C(C)C)C(C)C)C(O)=O |r| Show InChI InChI=1S/C30H36N2O5/c1-18(2)15-26(30(35)36)31-28(33)25-14-12-23(29(34)32(19(3)4)20(5)6)17-27(25)37-24-13-11-21-9-7-8-10-22(21)16-24/h7-14,16-20,26H,15H2,1-6H3,(H,31,33)(H,35,36)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.63E+3	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31386 (terephthalamide scaffold, 33) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C17H24N2O5/c1-10(2)24-14-9-12(16(21)19(4)5)7-8-13(14)15(20)18-11(3)17(22)23-6/h7-11H,1-6H3,(H,18,20)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.34E+3	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31393 (terephthalamide scaffold, 40) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r| Show InChI InChI=1S/C26H42N2O5/c1-16(2)12-22(26(31)32-9)27-24(29)21-11-10-20(13-23(21)33-19(7)8)25(30)28(14-17(3)4)15-18(5)6/h10-11,13,16-19,22H,12,14-15H2,1-9H3,(H,27,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.36E+3	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31392 (terephthalamide scaffold, 39) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r| Show InChI InChI=1S/C23H36N2O5/c1-14(2)12-25(13-15(3)4)22(27)18-9-10-19(20(11-18)30-16(5)6)21(26)24-17(7)23(28)29-8/h9-11,14-17H,12-13H2,1-8H3,(H,24,26)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.76E+3	-28.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31388 (terephthalamide scaffold, 35) Show SMILES CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(C)C |r| Show InChI InChI=1S/C22H26N2O5/c1-14(2)29-19-13-16(21(26)24(3)4)10-11-17(19)20(25)23-18(22(27)28)12-15-8-6-5-7-9-15/h5-11,13-14,18H,12H2,1-4H3,(H,23,25)(H,27,28)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.92E+3	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31377 (terephthalamide scaffold, 25) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C27H36N2O5/c1-17(2)29(18(3)4)26(31)21-13-14-22(24(16-21)34-19(5)6)25(30)28-23(27(32)33-7)15-20-11-9-8-10-12-20/h8-14,16-19,23H,15H2,1-7H3,(H,28,30)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31375 (CHEMBL28504 | terephthalamide scaffold, 23) Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r| Show InChI InChI=1S/C21H32N2O5/c1-12(2)23(13(3)4)20(25)16-9-10-17(18(11-16)28-14(5)6)19(24)22-15(7)21(26)27-8/h9-15H,1-8H3,(H,22,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM31391 (terephthalamide scaffold, 38) Show SMILES CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c(OC(C)C)c1 |r| Show InChI InChI=1S/C22H34N2O5/c1-8-24(9-2)21(26)16-10-11-17(19(13-16)29-15(5)6)20(25)23-18(12-14(3)4)22(27)28-7/h10-11,13-15,18H,8-9,12H2,1-7H3,(H,23,25)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.14E+4	-28.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Yale University					Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...				J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50303187 (5-((5-bromofuran-2-yl)methylene)-1-(4-fluorophenyl...) Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(Br)o2)C1=O Show InChI InChI=1S/C15H8BrFN2O3S/c16-12-6-5-10(22-12)7-11-13(20)18-15(23)19(14(11)21)9-3-1-8(17)2-4-9/h1-7H,(H,18,20,23)/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair

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