Found 76 hits with Last Name = 'moyo' and Initial = 'e' 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 |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463770
(CHEMBL4238919)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463771
(CHEMBL4250651)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
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 |
Redx Pharma
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463770
(CHEMBL4238919)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600005
(CHEMBL5195268)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM21690
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600003
(CHEMBL5201228)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50463771
(CHEMBL4250651)Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50050549
(GSK2140944 | Gepotidacin)Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA gyrase subunit B
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase activity |
Bioorg Med Chem Lett 28: 2998-3003 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600006
(CHEMBL5172158)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600007
(CHEMBL5182200)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600004
(CHEMBL5184104)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600009
(CHEMBL5177076)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50600008
(CHEMBL5198597)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50553248
(CHEMBL4787847)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate incubated for 30 mins by ethidium bromide staining based gel electro... |
Citation and Details
Article DOI: 10.1039/d0md00175a BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50553248
(CHEMBL4787847)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600011
(CHEMBL5205047)Show SMILES [H][C@@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600007
(CHEMBL5182200)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600003
(CHEMBL5201228)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600010
(CHEMBL5184352)Show SMILES [H][C@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Staphylococcus aureus topoisomerase IV using kDNA as substrate incubated for 30 mins by ethidium bromide staining based gel electrophor... |
Citation and Details
Article DOI: 10.1039/d0md00175a BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human ERG |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600018
(CHEMBL5199405)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(ccc2ccc1=O)C#N |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600013
(CHEMBL5194618)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ncc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human ERG |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600014
(CHEMBL5172094)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)cnc2ccc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600012
(CHEMBL5190832)Show SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50553249
(CHEMBL4743440)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50553247
(CHEMBL4764598)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600017
(CHEMBL5195721)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(F)ccc2ncc1=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50600003
(CHEMBL5201228)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00175a BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00175a BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50536777
(CHEMBL4526887)Show SMILES CCc1c([nH]c(=O)c2c1s[nH]c2=O)-c1ccc(cc1)N1CCC(C1)N(C)C Show InChI InChI=1S/C20H24N4O2S/c1-4-15-17(21-19(25)16-18(15)27-22-20(16)26)12-5-7-13(8-6-12)24-10-9-14(11-24)23(2)3/h5-8,14H,4,9-11H2,1-3H3,(H,21,25)(H,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Redx Pharma
Curated by ChEMBL
| Assay Description Inhibition of human ERG channel by automated patch clamp assay |
Bioorg Med Chem Lett 26: 4179-83 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.061 BindingDB Entry DOI: 10.7270/Q24Q7ZH2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50600015
(CHEMBL5206169)Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Nav1.5 (unknown origin) by patch clamp assay |
Citation and Details
Article DOI: 10.1039/d0md00175a BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50553248
(CHEMBL4787847)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50553248
(CHEMBL4787847)Show SMILES Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00174k BindingDB Entry DOI: 10.7270/Q2WH2TN2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human ERG by patch clamp assay |
Citation and Details
Article DOI: 10.1039/d0md00175a BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50553250
(CHEMBL4786331)Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Citation and Details
Article DOI: 10.1039/d0md00175a BindingDB Entry DOI: 10.7270/Q2RV0SB2 |
More data for this Ligand-Target Pair | |