Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'alm' and Initial = 'ra'   

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
Glutamate racemase (Helicobacter pylori)	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori)	BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(17.56,4.29,;19.1,4.29,;20,5.54,;21.47,5.06,;21.47,3.52,;20,3.04,;19.53,1.58,;20.45,.33,;21.99,.33,;22.76,-1.01,;21.98,-2.34,;22.75,-3.67,;24.29,-3.67,;25.06,-2.32,;26.59,-2.32,;27.35,-.99,;26.57,.34,;27.33,1.68,;25.05,.33,;24.29,-1,;19.53,-.93,;18.06,-.45,;16.72,-1.22,;16.71,-2.76,;15.38,-3.52,;13.84,-3.53,;14.61,-4.86,;15.38,-.45,;14.05,-1.22,;15.38,1.1,;14.05,1.87,;16.72,1.88,;16.71,3.42,;18.06,1.1,;22.71,5.96,;23.96,6.86,)| Show InChI InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395412 (CHEMBL2164745) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395418 (CHEMBL2164739) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-3-4-19-20(10-16)31(23(33)12-27-19)9-8-30-7-6-18(17(25)13-30)26-11-15-2-5-21-24(28-15)29-22(32)14-35-21/h2-5,10,12,17-18,26H,6-9,11,13-14H2,1H3,(H,28,29,32)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395395 (CHEMBL2163364) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-3-4-19-20(10-16)31(23(33)12-27-19)9-8-30-7-6-18(17(25)13-30)26-11-15-2-5-21-24(28-15)29-22(32)14-35-21/h2-5,10,12,17-18,26H,6-9,11,13-14H2,1H3,(H,28,29,32)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395401 (CHEMBL2165061) Show SMILES CO[C@@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H30N6O5/c1-34-17-4-5-18-20(11-17)31(24(33)13-27-18)10-9-30-8-7-19(22(14-30)35-2)26-12-16-3-6-21-25(28-16)29-23(32)15-36-21/h3-6,11,13,19,22,26H,7-10,12,14-15H2,1-2H3,(H,28,29,32)/t19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395394 (CHEMBL2165067) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-3-4-19-20(10-16)31(23(33)12-27-19)9-8-30-7-6-18(17(25)13-30)26-11-15-2-5-21-24(28-15)29-22(32)14-35-21/h2-5,10,12,17-18,26H,6-9,11,13-14H2,1H3,(H,28,29,32)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395413 (CHEMBL2164744) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395400 (CHEMBL2165062) Show SMILES O=c1ccc2ccc(cc2n1CCN1CCC(CC1)NCc1cc2OCCOc2cn1)C#N Show InChI InChI=1S/C25H27N5O3/c26-15-18-1-2-19-3-4-25(31)30(22(19)13-18)10-9-29-7-5-20(6-8-29)27-16-21-14-23-24(17-28-21)33-12-11-32-23/h1-4,13-14,17,20,27H,5-12,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395400 (CHEMBL2165062) Show SMILES O=c1ccc2ccc(cc2n1CCN1CCC(CC1)NCc1cc2OCCOc2cn1)C#N Show InChI InChI=1S/C25H27N5O3/c26-15-18-1-2-19-3-4-25(31)30(22(19)13-18)10-9-29-7-5-20(6-8-29)27-16-21-14-23-24(17-28-21)33-12-11-32-23/h1-4,13-14,17,20,27H,5-12,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395393 (CHEMBL2165068) Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395419 (CHEMBL2165069) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H28FN5O4/c1-32-17-2-3-20-21(11-17)30(24(31)14-28-20)7-6-29-5-4-19(18(25)15-29)27-12-16-10-22-23(13-26-16)34-9-8-33-22/h2-3,10-11,13-14,18-19,27H,4-9,12,15H2,1H3/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395406 (CHEMBL2165056) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395405 (CHEMBL2165057) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H30N6O5/c1-34-17-4-5-18-20(11-17)31(24(33)13-27-18)10-9-30-8-7-19(22(14-30)35-2)26-12-16-3-6-21-25(28-16)29-23(32)15-36-21/h3-6,11,13,19,22,26H,7-10,12,14-15H2,1-2H3,(H,28,29,32)/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395402 (CHEMBL2165060) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395409 (CHEMBL2164748) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395416 (CHEMBL2164741) Show SMILES O[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H27N5O4/c26-13-17-1-2-18-3-4-25(32)30(21(18)11-17)8-7-29-6-5-20(22(31)16-29)28-14-19-12-23-24(15-27-19)34-10-9-33-23/h1-4,11-12,15,20,22,28,31H,5-10,14,16H2/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395393 (CHEMBL2165068) Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395403 (CHEMBL2165059) Show SMILES CO[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C26H28N6O4/c1-35-23-15-31(10-11-32-21-12-17(13-27)2-3-18(21)4-7-25(32)34)9-8-20(23)28-14-19-5-6-22-26(29-19)30-24(33)16-36-22/h2-7,12,20,23,28H,8-11,14-16H2,1H3,(H,29,30,33)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395410 (CHEMBL2164747) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H28N6O5/c1-34-16-3-4-17-19(10-16)30(23(33)12-26-17)9-8-29-7-6-18(20(31)13-29)25-11-15-2-5-21-24(27-15)28-22(32)14-35-21/h2-5,10,12,18,20,25,31H,6-9,11,13-14H2,1H3,(H,27,28,32)/t18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395417 (CHEMBL2164740) Show SMILES O[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H27N5O4/c26-13-17-1-2-18-3-4-25(32)30(21(18)11-17)8-7-29-6-5-20(22(31)16-29)28-14-19-12-23-24(15-27-19)34-10-9-33-23/h1-4,11-12,15,20,22,28,31H,5-10,14,16H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395396 (CHEMBL2165066) Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H25FN6O3/c26-19-14-31(9-10-32-21-11-16(12-27)1-2-17(21)3-6-24(32)34)8-7-20(19)28-13-18-4-5-22-25(29-18)30-23(33)15-35-22/h1-6,11,19-20,28H,7-10,13-15H2,(H,29,30,33)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395411 (CHEMBL2164746) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H28N6O5/c1-34-16-3-4-17-19(10-16)30(23(33)12-26-17)9-8-29-7-6-18(20(31)13-29)25-11-15-2-5-21-24(27-15)28-22(32)14-35-21/h2-5,10,12,18,20,25,31H,6-9,11,13-14H2,1H3,(H,27,28,32)/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395408 (CHEMBL2165054) Show SMILES CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C26H29N5O4/c1-33-25-17-30(8-9-31-22-12-18(14-27)2-3-19(22)4-5-26(31)32)7-6-21(25)29-15-20-13-23-24(16-28-20)35-11-10-34-23/h2-5,12-13,16,21,25,29H,6-11,15,17H2,1H3/t21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395404 (CHEMBL2165058) Show SMILES CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C26H29N5O4/c1-33-25-17-30(8-9-31-22-12-18(14-27)2-3-19(22)4-5-26(31)32)7-6-21(25)29-15-20-13-23-24(16-28-20)35-11-10-34-23/h2-5,12-13,16,21,25,29H,6-11,15,17H2,1H3/t21-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395407 (CHEMBL2165055) Show SMILES CO[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C26H28N6O4/c1-35-23-15-31(10-11-32-21-12-17(13-27)2-3-18(21)4-7-25(32)34)9-8-20(23)28-14-19-5-6-22-26(29-19)30-24(33)16-36-22/h2-7,12,20,23,28H,8-11,14-16H2,1H3,(H,29,30,33)/t20-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395397 (CHEMBL2165065) Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395397 (CHEMBL2165065) Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395398 (CHEMBL2165064) Show SMILES F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395398 (CHEMBL2165064) Show SMILES F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395415 (CHEMBL2164742) Show SMILES O[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H26N6O4/c26-12-16-1-2-17-3-6-24(34)31(20(17)11-16)10-9-30-8-7-19(21(32)14-30)27-13-18-4-5-22-25(28-18)29-23(33)15-35-22/h1-6,11,19,21,27,32H,7-10,13-15H2,(H,28,29,33)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395414 (CHEMBL2164743) Show SMILES O[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H26N6O4/c26-12-16-1-2-17-3-6-24(34)31(20(17)11-16)10-9-30-8-7-19(21(32)14-30)27-13-18-4-5-22-25(28-18)29-23(33)15-35-22/h1-6,11,19,21,27,32H,7-10,13-15H2,(H,28,29,33)/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Glutamate racemase (Streptococcus pneumoniae)	BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(17.56,4.29,;19.1,4.29,;20,5.54,;21.47,5.06,;21.47,3.52,;20,3.04,;19.53,1.58,;20.45,.33,;21.99,.33,;22.76,-1.01,;21.98,-2.34,;22.75,-3.67,;24.29,-3.67,;25.06,-2.32,;26.59,-2.32,;27.35,-.99,;26.57,.34,;27.33,1.68,;25.05,.33,;24.29,-1,;19.53,-.93,;18.06,-.45,;16.72,-1.22,;16.71,-2.76,;15.38,-3.52,;13.84,-3.53,;14.61,-4.86,;15.38,-.45,;14.05,-1.22,;15.38,1.1,;14.05,1.87,;16.72,1.88,;16.71,3.42,;18.06,1.1,;22.71,5.96,;23.96,6.86,)| Show InChI InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of MurI in Streptococcus pneumoniae				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Streptococcus pneumoniae)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of MurI in Streptococcus pneumoniae				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori MurI by isothermal titration calorimetry				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate racemase (Helicobacter pylori)	BDBM50215445 (5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropy...) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(17.56,4.29,;19.1,4.29,;20,5.54,;21.47,5.06,;21.47,3.52,;20,3.04,;19.53,1.58,;20.45,.33,;21.99,.33,;22.76,-1.01,;21.98,-2.34,;22.75,-3.67,;24.29,-3.67,;25.06,-2.32,;26.59,-2.32,;27.35,-.99,;26.57,.34,;27.33,1.68,;25.05,.33,;24.29,-1,;19.53,-.93,;18.06,-.45,;16.72,-1.22,;16.71,-2.76,;15.38,-3.52,;13.84,-3.53,;14.61,-4.86,;15.38,-.45,;14.05,-1.22,;15.38,1.1,;14.05,1.87,;16.72,1.88,;16.71,3.42,;18.06,1.1,;22.71,5.96,;23.96,6.86,)| Show InChI InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM50215444 (5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)