Found 80 hits with Last Name = 'xiao' and Initial = 'yc' 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 |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50561901
(CHEMBL4746021) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50279661
(CHEMBL4166065)Show InChI InChI=1S/C15H12BF3N2O2S/c17-15(18,19)10-2-5-11(6-3-10)20-14(24)21-12-4-1-9-8-23-16(22)13(9)7-12/h1-7,22H,8H2,(H2,20,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50294581
(3-phenylprop-1-enylboronic acid | CHEMBL539140)Show InChI InChI=1S/C9H11BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8,11-12H,7H2/b8-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| | 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50561901
(CHEMBL4746021) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50279661
(CHEMBL4166065)Show InChI InChI=1S/C15H12BF3N2O2S/c17-15(18,19)10-2-5-11(6-3-10)20-14(24)21-12-4-1-9-8-23-16(22)13(9)7-12/h1-7,22H,8H2,(H2,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50561901
(CHEMBL4746021) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50561901
(CHEMBL4746021) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 414 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50279661
(CHEMBL4166065)Show InChI InChI=1S/C15H12BF3N2O2S/c17-15(18,19)10-2-5-11(6-3-10)20-14(24)21-12-4-1-9-8-23-16(22)13(9)7-12/h1-7,22H,8H2,(H2,20,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50279661
(CHEMBL4166065)Show InChI InChI=1S/C15H12BF3N2O2S/c17-15(18,19)10-2-5-11(6-3-10)20-14(24)21-12-4-1-9-8-23-16(22)13(9)7-12/h1-7,22H,8H2,(H2,20,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
Arginase-1
(Rattus norvegicus) | BDBM50354832
(CHEMBL1834160)Show InChI InChI=1S/C7H13NO3/c8-6(7(10)11)4-2-1-3-5-9/h5-6H,1-4,8H2,(H,10,11)/t6-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Arginase-1
(Bos taurus) | BDBM50608139
(CHEMBL5287570) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50316603
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| | 3.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM589753
(US11559538, Example 16 | US11559538, Example 208 |...) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50608137
(CHEMBL5268265) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM589895
(US11559538, Example 147 | US11559538, Example 148) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50568657
(CHEMBL4872870) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50608132
(CHEMBL5290174) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50339145
(CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...)Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate |
J Med Chem 63: 295-308 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01540 BindingDB Entry DOI: 10.7270/Q2BG2S8D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50322726
(2-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)Show SMILES OB(O)c1ccccc1COc1ccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 Show InChI InChI=1S/C24H19BFNO5S/c26-19-9-5-17(6-10-19)14-27-23(28)22(33-24(27)29)13-16-7-11-20(12-8-16)32-15-18-3-1-2-4-21(18)25(30)31/h1-13,30-31H,14-15H2/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | >5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50347722
(CHEMBL1802517)Show SMILES CN1C(=O)N(Cc2ccc(F)cc2)C(=O)\C1=C/c1ccc(OCc2ccc(cc2)B(O)O)cc1 Show InChI InChI=1S/C25H22BFN2O5/c1-28-23(24(30)29(25(28)31)15-18-4-10-21(27)11-5-18)14-17-6-12-22(13-7-17)34-16-19-2-8-20(9-3-19)26(32)33/h2-14,32-33H,15-16H2,1H3/b23-14+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50322727
(4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-13,30-31H,14-15H2/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50347723
(CHEMBL1802518)Show SMILES CN1C(=O)N(Cc2ccc(F)cc2)C(=O)\C1=C\c1ccc(OCc2ccc(cc2)B(O)O)cc1 Show InChI InChI=1S/C25H22BFN2O5/c1-28-23(24(30)29(25(28)31)15-18-4-10-21(27)11-5-18)14-17-6-12-22(13-7-17)34-16-19-2-8-20(9-3-19)26(32)33/h2-14,32-33H,15-16H2,1H3/b23-14- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
VIM-1 metallo-beta-lactamase
(Klebsiella pneumoniae) | BDBM50608143
(CHEMBL4463697)Show SMILES NCCN[C@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)CC1 |r,wU:4.3,12.11,wD:7.7,(5.28,-8.39,;6.61,-9.16,;7.94,-8.39,;9.27,-9.16,;10.61,-8.39,;10.61,-6.85,;11.94,-6.08,;13.27,-6.85,;14.61,-6.08,;15.94,-6.85,;15.94,-8.39,;17.27,-6.08,;18.6,-6.85,;19.94,-6.08,;21.27,-6.85,;22.6,-6.08,;23.94,-6.86,;23.94,-8.39,;22.61,-9.16,;22.61,-10.7,;21.28,-11.48,;23.95,-11.48,;21.27,-8.39,;19.94,-9.16,;18.6,-8.39,;17.27,-9.16,;13.27,-8.39,;11.94,-9.16,)| | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50608136
(CHEMBL1093374) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50322725
(3-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)Show SMILES OB(O)c1cccc(COc2cccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)c1 Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-7-16(8-10-20)14-27-23(28)22(33-24(27)29)13-17-3-2-6-21(12-17)32-15-18-4-1-5-19(11-18)25(30)31/h1-13,30-31H,14-15H2/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM103575
(ATX inhibitor 10 analogue 5 | US8551988, 65)Show SMILES OB(O)c1cccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)c1 |t:16| Show InChI InChI=1S/C21H20BCl2N3O3S/c23-17-5-4-14(11-18(17)24)12-19-20(28)25-21(31-19)27-8-6-26(7-9-27)13-15-2-1-3-16(10-15)22(29)30/h1-5,10-12,29-30H,6-9,13H2/b19-12- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506233
(CHEMBL4475378)Show InChI InChI=1S/C15H12F3N3O3/c16-15(17,18)12-11(2-1-7-19-12)14(23)20-8-9-3-5-10(6-4-9)13(22)21-24/h1-7,24H,8H2,(H,20,23)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate |
J Med Chem 63: 295-308 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01540 BindingDB Entry DOI: 10.7270/Q2BG2S8D |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50608131
(CHEMBL5278590) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM103577
(ATX inhibitor 10 analogue 7)Show SMILES OC(=O)c1ccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)cc1 |t:15| Show InChI InChI=1S/C22H19Cl2N3O3S/c23-17-6-3-15(11-18(17)24)12-19-20(28)25-22(31-19)27-9-7-26(8-10-27)13-14-1-4-16(5-2-14)21(29)30/h1-6,11-12H,7-10,13H2,(H,29,30)/b19-12- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50322724
(3-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)Show SMILES OB(O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 Show InChI InChI=1S/C24H19BFNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-24(27)29)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)25(30)31/h1-13,30-31H,14-15H2/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Arginase-1
(Homo sapiens (Human)) | BDBM50511658
(Cb-1158 | INCB-001158 | Incb 001158 | Incb001158 |...)Show SMILES C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r| Show InChI InChI=1S/C11H22BN3O5/c1-7(13)9(16)15-5-8(3-2-4-12(19)20)11(14,6-15)10(17)18/h7-8,19-20H,2-6,13-14H2,1H3,(H,17,18)/t7-,8-,11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50322728
(4-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)Show SMILES OB(O)c1ccc(COc2cccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)cc1 Show InChI InChI=1S/C24H19BFNO5S/c26-20-10-6-16(7-11-20)14-27-23(28)22(33-24(27)29)13-18-2-1-3-21(12-18)32-15-17-4-8-19(9-5-17)25(30)31/h1-13,30-31H,14-15H2/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50608135
(CHEMBL1093373) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50532266
(CHEMBL4467344)Show InChI InChI=1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506236
(4sc-201 | BYK-408740 | BYK408740 | RAS-2410 | RAS2...)Show SMILES CN(C)Cc1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant C-terminal FLAG-tagged HDAC6 (unknown origin) using Ac-NH-GGK(Ac)-AMC as substrate measured after 180 mins by fluorescence ... |
J Med Chem 63: 295-308 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01540 BindingDB Entry DOI: 10.7270/Q2BG2S8D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50322727
(4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-13,30-31H,14-15H2/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50608133
(CHEMBL5281157) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50277665
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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Similars
| | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50608138
(CHEMBL5266101)Show SMILES OB1OCc2ccc(cc12)C(=O)N1CC(C1)N1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506237
(CHEMBL4571732)Show SMILES [H][C@]12C[C@]([H])([C@H](CNCc3ccc(cc3)C(=O)NO)CC1)C2(C)C |r| Show InChI InChI=1S/C18H26N2O2/c1-18(2)15-8-7-14(16(18)9-15)11-19-10-12-3-5-13(6-4-12)17(21)20-22/h3-6,14-16,19,22H,7-11H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 CD2 domain (unknown origin) |
J Med Chem 63: 295-308 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01540 BindingDB Entry DOI: 10.7270/Q2BG2S8D |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM103961
(ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...)Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:8| Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
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| PDB
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50608134
(CHEMBL1093962) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Arginase-2, mitochondrial
(Homo sapiens (Human)) | BDBM50511658
(Cb-1158 | INCB-001158 | Incb 001158 | Incb001158 |...)Show SMILES C[C@H](N)C(=O)N1C[C@H](CCCB(O)O)[C@@](N)(C1)C(O)=O |r| Show InChI InChI=1S/C11H22BN3O5/c1-7(13)9(16)15-5-8(3-2-4-12(19)20)11(14,6-15)10(17)18/h7-8,19-20H,2-6,13-14H2,1H3,(H,17,18)/t7-,8-,11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| | n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506234
(CHEMBL4459294)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(=O)NO |r| Show InChI InChI=1S/C25H32N4O6/c1-16(2)13-21(28-25(33)35-15-19-7-5-4-6-8-19)24(32)27-17(3)22(30)26-14-18-9-11-20(12-10-18)23(31)29-34/h4-12,16-17,21,34H,13-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t17-,21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate |
J Med Chem 63: 295-308 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01540 BindingDB Entry DOI: 10.7270/Q2BG2S8D |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506235
(CHEMBL4532891)Show SMILES ONC(=O)c1ccc(CNC(=O)CNC(=O)CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C20H22N4O6/c25-17(21-10-14-6-8-16(9-7-14)19(27)24-29)11-22-18(26)12-23-20(28)30-13-15-4-2-1-3-5-15/h1-9,29H,10-13H2,(H,21,25)(H,22,26)(H,23,28)(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 CD2 domain (unknown origin) |
J Med Chem 63: 295-308 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01540 BindingDB Entry DOI: 10.7270/Q2BG2S8D |
More data for this Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50277665
(4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...)Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Klebsiella pneumoniae KPC-2 |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1 |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50569215
(CHEMBL4875926) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1 |
More data for this Ligand-Target Pair | |
Arginase-1
(Rattus norvegicus) | BDBM50350311
(CHEMBL1812661)Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM50569224
(CHEMBL4879305) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1 |
More data for this Ligand-Target Pair | |