Found 173 hits with Last Name = 'andreoli' and Initial = 'm' 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 |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483163
(CHEMBL1630067)Show InChI InChI=1S/C18H16N4O3S/c1-11-15(12(2)24-18(23)19-13-7-4-3-5-8-13)25-17-20-16(21-22(11)17)14-9-6-10-26-14/h3-10,12H,1-2H3,(H,19,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411390
(CHEMBL397222)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)c(Cl)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H27Cl2N5OS/c1-17-14-24(31-34-17)20-5-4-18-8-11-33(12-9-19(18)15-20)10-3-13-35-26-30-29-25(32(26)2)21-6-7-22(27)23(28)16-21/h4-7,14-16H,3,8-13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483149
(CHEMBL1630065)Show InChI InChI=1S/C14H13ClN4O3/c1-8-11(22-13-17-12(15)18-19(8)13)9(2)21-14(20)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,16,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483151
(CHEMBL1630068)Show SMILES CC(OC(=O)Nc1ccccc1)c1oc2nc(nn2c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O3/c1-12-17(13(2)27-20(26)22-16-6-4-3-5-7-16)28-19-23-18(24-25(12)19)14-8-10-15(21)11-9-14/h3-11,13H,1-2H3,(H,22,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483150
(CHEMBL1630066)Show InChI InChI=1S/C17H18N4O3/c1-10-14(24-16-19-15(12-8-9-12)20-21(10)16)11(2)23-17(22)18-13-6-4-3-5-7-13/h3-7,11-12H,8-9H2,1-2H3,(H,18,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483155
(CHEMBL1630076)Show InChI InChI=1S/C15H15N3O2S/c1-10-13(21-14-16-8-9-18(10)14)11(2)20-15(19)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50439246
(CHEMBL2418830)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)cc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H30BClN2O4/c22-16-5-3-14(4-6-16)13-24-17-7-8-18(24)12-15(11-17)20(23,19(25)26)9-1-2-10-21(27)28/h3-6,15,17-18,27-28H,1-2,7-13,23H2,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411385
(CHEMBL243896)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C#N)n3C)CCc2c1 Show InChI InChI=1S/C27H28N6OS/c1-19-16-25(31-34-19)24-9-8-21-10-13-33(14-11-23(21)17-24)12-3-15-35-27-30-29-26(32(27)2)22-6-4-20(18-28)5-7-22/h4-9,16-17H,3,10-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50439247
(CHEMBL2418831)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BCl2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50439245
(CHEMBL2418991)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(F)c(F)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BF2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50439247
(CHEMBL2418831)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BCl2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50439244
(CHEMBL2418829)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccccc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H31BN2O4/c22-20(19(24)25,10-4-5-11-21(26)27)16-12-17-8-9-18(13-16)23(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,26-27H,4-5,8-14,22H2,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411382
(CHEMBL395742)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(C)cc4)n3C)CCc2c1 Show InChI InChI=1S/C27H31N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h5-10,17-18H,4,11-16H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411387
(CHEMBL244279)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(Cl)cc4)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)22-5-4-19-10-13-32(14-11-21(19)17-22)12-3-15-34-26-29-28-25(31(26)2)20-6-8-23(27)9-7-20/h4-9,16-17H,3,10-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50439246
(CHEMBL2418830)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(Cl)cc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H30BClN2O4/c22-16-5-3-14(4-6-16)13-24-17-7-8-18(24)12-15(11-17)20(23,19(25)26)9-1-2-10-21(27)28/h3-6,15,17-18,27-28H,1-2,7-13,23H2,(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411392
(CHEMBL390649)Show SMILES Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3c2)n(C)n1 Show InChI InChI=1S/C28H31F3N6S/c1-19-17-25(36(3)34-19)23-6-5-20-11-14-37(15-12-22(20)18-23)13-4-16-38-27-33-32-26(35(27)2)21-7-9-24(10-8-21)28(29,30)31/h5-10,17-18H,4,11-16H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Mus musculus) | BDBM50483145
(CHEMBL1630080)Show SMILES C[C@@H](OC(=O)Nc1cccc(F)c1)c1sc2nncn2c1C |r| Show InChI InChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20)/t9-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at mGluR5 in mouse astrocytes assessed as inhibition of L-quisqualate induced calcium release by FLIPR assay |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Mus musculus) | BDBM50483144
(CHEMBL1630057 | GSK2210875)Show InChI InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at mGluR5 in mouse astrocytes assessed as inhibition of L-quisqualate induced calcium release by FLIPR assay |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50439245
(CHEMBL2418991)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccc(F)c(F)c1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H29BF2N2O4/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28)29/h3,6,9,14-16,28-29H,1-2,4-5,7-8,10-12,24H2,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411367
(CHEMBL242600)Show SMILES COc1ccc(cc1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C27H31N5O2S/c1-19-17-25(30-34-19)23-6-5-20-11-14-32(15-12-22(20)18-23)13-4-16-35-27-29-28-26(31(27)2)21-7-9-24(33-3)10-8-21/h5-10,17-18H,4,11-16H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411376
(CHEMBL390429)Show SMILES COc1ccccc1-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C27H31N5O2S/c1-19-17-24(30-34-19)22-10-9-20-11-14-32(15-12-21(20)18-22)13-6-16-35-27-29-28-26(31(27)2)23-7-4-5-8-25(23)33-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411394
(CHEMBL244276)Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4ccc5[nH]ccc5c4)n3C)CCc2c1 Show InChI InChI=1S/C28H30N6OS/c1-19-18-30-27(35-19)24-5-4-20-9-13-34(14-10-21(20)16-24)12-3-15-36-28-32-31-26(33(28)2)23-6-7-25-22(17-23)8-11-29-25/h4-8,11,16-18,29H,3,9-10,12-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483145
(CHEMBL1630080)Show SMILES C[C@@H](OC(=O)Nc1cccc(F)c1)c1sc2nncn2c1C |r| Show InChI InChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20)/t9-/m1/s1 | PDB MMDB
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 |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483153
(CHEMBL1630070)Show InChI InChI=1S/C15H13F3N4O3/c1-8-11(25-13-20-12(15(16,17)18)21-22(8)13)9(2)24-14(23)19-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,19,23) | PDB MMDB
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 |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483152
(CHEMBL1630069)Show InChI InChI=1S/C15H16N4O3/c1-9-13(22-14-16-11(3)18-19(9)14)10(2)21-15(20)17-12-7-5-4-6-8-12/h4-8,10H,1-3H3,(H,17,20) | PDB MMDB
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 |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483147
(CHEMBL1630061)Show InChI InChI=1S/C14H13ClN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,18,20) | PDB MMDB
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 |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483144
(CHEMBL1630057 | GSK2210875)Show InChI InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50439244
(CHEMBL2418829)Show SMILES NC(CCCCB(O)O)(C1CC2CCC(C1)N2Cc1ccccc1)C(O)=O |TLB:17:16:12.13:9.10.15| Show InChI InChI=1S/C20H31BN2O4/c22-20(19(24)25,10-4-5-11-21(26)27)16-12-17-8-9-18(13-16)23(17)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,26-27H,4-5,8-14,22H2,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50439243
(CHEMBL2418998)Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(Cl)cc2Cl)CC1)C(O)=O Show InChI InChI=1S/C20H31BCl2N2O4/c22-17-6-5-15(18(23)14-17)4-3-11-25-12-7-16(8-13-25)20(24,19(26)27)9-1-2-10-21(28)29/h5-6,14,16,28-29H,1-4,7-13,24H2,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483160
(CHEMBL1630064)Show InChI InChI=1S/C14H13FN4O3/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,18,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411388
(CHEMBL397429)Show SMILES Cc1cnc(o1)-c1ccc2CCN(CCCSc3nnc(-c4cc5ccccc5[nH]4)n3C)CCc2c1 Show InChI InChI=1S/C28H30N6OS/c1-19-18-29-27(35-19)23-9-8-20-10-13-34(14-11-21(20)16-23)12-5-15-36-28-32-31-26(33(28)2)25-17-22-6-3-4-7-24(22)30-25/h3-4,6-9,16-18,30H,5,10-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50427899
(CHEMBL2326090)Show InChI InChI=1S/C14H29BN2O4/c1-16-14(13(18)19,7-3-4-9-15(20)21)8-12-17-10-5-2-6-11-17/h16,20-21H,2-12H2,1H3,(H,18,19)/t14-/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
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery , LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ... |
J Med Chem 56: 2568-80 (2013)
Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483146
(CHEMBL1630059)Show InChI InChI=1S/C14H14N4O3/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483157
(CHEMBL1630079)Show InChI InChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411383
(CHEMBL244087)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccccc4Cl)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-16-24(30-33-18)21-9-8-19-10-13-32(14-11-20(19)17-21)12-5-15-34-26-29-28-25(31(26)2)22-6-3-4-7-23(22)27/h3-4,6-9,16-17H,5,10-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411369
(CHEMBL243897)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4ccc(cc4)C(F)(F)F)n3C)CCc2c1 Show InChI InChI=1S/C27H28F3N5OS/c1-18-16-24(33-36-18)22-5-4-19-10-13-35(14-11-21(19)17-22)12-3-15-37-26-32-31-25(34(26)2)20-6-8-23(9-7-20)27(28,29)30/h4-9,16-17H,3,10-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50427899
(CHEMBL2326090)Show InChI InChI=1S/C14H29BN2O4/c1-16-14(13(18)19,7-3-4-9-15(20)21)8-12-17-10-5-2-6-11-17/h16,20-21H,2-12H2,1H3,(H,18,19)/t14-/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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery , LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea ... |
J Med Chem 56: 2568-80 (2013)
Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50439241
(CHEMBL2418999)Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(cc2)C(F)(F)F)CC1)C(O)=O Show InChI InChI=1S/C21H32BF3N2O4/c23-21(24,25)18-7-5-16(6-8-18)4-3-13-27-14-9-17(10-15-27)20(26,19(28)29)11-1-2-12-22(30)31/h5-8,17,30-31H,1-4,9-15,26H2,(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411396
(CHEMBL244278)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc(Cl)c4)n3C)CCc2c1 Show InChI InChI=1S/C26H28ClN5OS/c1-18-15-24(30-33-18)21-8-7-19-9-12-32(13-10-20(19)16-21)11-4-14-34-26-29-28-25(31(26)2)22-5-3-6-23(27)17-22/h3,5-8,15-17H,4,9-14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50439242
(CHEMBL2418828)Show InChI InChI=1S/C13H25BN2O4/c15-13(12(17)18,5-1-2-6-14(19)20)9-7-10-3-4-11(8-9)16-10/h9-11,16,19-20H,1-8,15H2,(H,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50439242
(CHEMBL2418828)Show InChI InChI=1S/C13H25BN2O4/c15-13(12(17)18,5-1-2-6-14(19)20)9-7-10-3-4-11(8-9)16-10/h9-11,16,19-20H,1-8,15H2,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50427903
(CHEMBL2326087)Show InChI InChI=1S/C11H25BN2O4/c1-9(2)14-8-6-11(13,10(15)16)5-3-4-7-12(17)18/h9,14,17-18H,3-8,13H2,1-2H3,(H,15,16)/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery , LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ... |
J Med Chem 56: 2568-80 (2013)
Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50439243
(CHEMBL2418998)Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(Cl)cc2Cl)CC1)C(O)=O Show InChI InChI=1S/C20H31BCl2N2O4/c22-17-6-5-15(18(23)14-17)4-3-11-25-12-7-16(8-13-25)20(24,19(26)27)9-1-2-10-21(28)29/h5-6,14,16,28-29H,1-4,7-13,24H2,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50439241
(CHEMBL2418999)Show SMILES NC(CCCCB(O)O)(C1CCN(CCCc2ccc(cc2)C(F)(F)F)CC1)C(O)=O Show InChI InChI=1S/C21H32BF3N2O4/c23-21(24,25)18-7-5-16(6-8-18)4-3-13-27-14-9-17(10-15-27)20(26,19(28)29)11-1-2-12-22(30)31/h5-8,17,30-31H,1-4,9-15,26H2,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery
Curated by ChEMBL
| Assay Description Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay |
Bioorg Med Chem Lett 23: 4837-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.092 BindingDB Entry DOI: 10.7270/Q2Z89DT6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411379
(CHEMBL244086)Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccs4)n3C)CCc2c1 Show InChI InChI=1S/C24H27N5OS2/c1-17-15-21(27-30-17)20-7-6-18-8-11-29(12-9-19(18)16-20)10-4-14-32-24-26-25-23(28(24)2)22-5-3-13-31-22/h3,5-7,13,15-16H,4,8-12,14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia 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 |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411373
(CHEMBL243860)Show SMILES CC1CCC(CC1)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C |(16.41,-46.4,;15.16,-45.51,;13.75,-46.15,;12.5,-45.26,;12.65,-43.73,;14.04,-43.08,;15.3,-43.97,;11.39,-42.84,;11.37,-41.28,;9.91,-40.84,;9.02,-42.09,;7.48,-42.1,;6.7,-40.78,;5.16,-40.79,;4.38,-39.47,;2.84,-39.48,;2.16,-38.09,;.64,-37.76,;-.57,-38.74,;-1.9,-37.98,;-3.23,-38.75,;-3.23,-40.29,;-1.9,-41.06,;-.56,-40.29,;.67,-41.25,;2.18,-40.89,;-4.57,-41.06,;-5.96,-40.44,;-6.99,-41.58,;-8.51,-41.41,;-6.24,-42.93,;-4.73,-42.61,;9.94,-43.34,;9.48,-44.81,)| Show InChI InChI=1S/C27H37N5OS/c1-19-5-7-22(8-6-19)26-28-29-27(31(26)3)34-16-4-13-32-14-11-21-9-10-24(18-23(21)12-15-32)25-17-20(2)33-30-25/h9-10,17-19,22H,4-8,11-16H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia 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 |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50483158
(CHEMBL1630077)Show InChI InChI=1S/C14H14N4O2S/c1-9-12(21-13-17-15-8-18(9)13)10(2)20-14(19)16-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicines Research Centre
Curated by ChEMBL
| Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization |
Bioorg Med Chem Lett 20: 7521-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.120 BindingDB Entry DOI: 10.7270/Q2KH0R5D |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50427904
(CHEMBL2326086)Show InChI InChI=1S/C12H27BN2O4/c1-3-9-15(2)10-7-12(14,11(16)17)6-4-5-8-13(18)19/h18-19H,3-10,14H2,1-2H3,(H,16,17)/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery , LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ... |
J Med Chem 56: 2568-80 (2013)
Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411400
(CHEMBL244945)Show SMILES COc1ccc(cn1)-c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-15-23(30-34-18)21-6-5-19-9-12-32(13-10-20(19)16-21)11-4-14-35-26-29-28-25(31(26)2)22-7-8-24(33-3)27-17-22/h5-8,15-17H,4,9-14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from hERG expressed in CHO cells |
J Med Chem 50: 5076-89 (2007)
Article DOI: 10.1021/jm0705612 BindingDB Entry DOI: 10.7270/Q2DF6QZB |
More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50427911
(CHEMBL2326095)Show InChI InChI=1S/C12H25BN2O4/c14-12(11(16)17,5-1-2-7-13(18)19)6-10-15-8-3-4-9-15/h18-19H,1-10,14H2,(H,16,17)/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes for Pharmaceutical Discovery , LLC
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ... |
J Med Chem 56: 2568-80 (2013)
Article DOI: 10.1021/jm400014c BindingDB Entry DOI: 10.7270/Q2BC40WP |
More data for this Ligand-Target Pair | |