Found 258 hits with Last Name = 'noonan' and Initial = 't' 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 |
Acidic mammalian chitinase
(Mus musculus) | BDBM50243745
(CHEMBL4076989)Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243745
(CHEMBL4076989)Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50243745
(CHEMBL4076989)Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Mus musculus) | BDBM50243745
(CHEMBL4076989)Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24) | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433630
(CHEMBL2380834)Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433630
(CHEMBL2380834)Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433636
(CHEMBL2380829)Show SMILES Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c1F Show InChI InChI=1S/C25H16F2N4O2/c26-19-7-3-6-18(22(19)27)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433634
(CHEMBL2380831)Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H16F2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433632
(CHEMBL2380833)Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H16F2N4O2/c26-15-11-14(12-16(27)13-15)24(32)30-18-7-5-17(6-8-18)29-21-9-10-28-23-22(21)19-3-1-2-4-20(19)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433633
(CHEMBL2380832)Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H16F2N4O2/c26-19-10-5-14(13-20(19)27)24(32)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433652
(CHEMBL2380835)Show SMILES Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H16F4N4O2/c27-22-18(6-3-7-19(22)26(28,29)30)25(36)33-15-10-8-14(9-11-15)32-20-12-13-31-23-21(20)16-4-1-2-5-17(16)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433629
(CHEMBL2380845)Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433641
(CHEMBL2380824)Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H17F3N4O2/c27-26(28,29)20-8-4-3-7-19(20)25(35)32-16-11-9-15(10-12-16)31-21-13-14-30-23-22(21)17-5-1-2-6-18(17)24(34)33-23/h1-14H,(H,32,35)(H2,30,31,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433640
(CHEMBL2380825)Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H17FN4O2/c26-16-5-3-4-15(14-16)24(31)29-18-10-8-17(9-11-18)28-21-12-13-27-23-22(21)19-6-1-2-7-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433638
(CHEMBL2380827)Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H17FN4O2/c26-16-7-5-15(6-8-16)24(31)29-18-11-9-17(10-12-18)28-21-13-14-27-23-22(21)19-3-1-2-4-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433631
(CHEMBL2380838)Show SMILES COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H19FN4O3/c1-34-21-8-4-7-19(27)23(21)26(33)30-16-11-9-15(10-12-16)29-20-13-14-28-24-22(20)17-5-2-3-6-18(17)25(32)31-24/h2-14H,1H3,(H,30,33)(H2,28,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433635
(CHEMBL2380830)Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(F)c1 Show InChI InChI=1S/C25H16F2N4O2/c26-14-5-10-19(20(27)13-14)25(33)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433635
(CHEMBL2380830)Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(F)c1 Show InChI InChI=1S/C25H16F2N4O2/c26-14-5-10-19(20(27)13-14)25(33)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433636
(CHEMBL2380829)Show SMILES Fc1cccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c1F Show InChI InChI=1S/C25H16F2N4O2/c26-19-7-3-6-18(22(19)27)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433643
(CHEMBL2380839)Show SMILES COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H20N4O3/c1-33-22-9-5-4-8-20(22)26(32)29-17-12-10-16(11-13-17)28-21-14-15-27-24-23(21)18-6-2-3-7-19(18)25(31)30-24/h2-15H,1H3,(H,29,32)(H2,27,28,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433642
(CHEMBL2380823)Show SMILES Fc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H17FN4O2/c26-20-8-4-3-7-19(20)25(32)29-16-11-9-15(10-12-16)28-21-13-14-27-23-22(21)17-5-1-2-6-18(17)24(31)30-23/h1-14H,(H,29,32)(H2,27,28,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433639
(CHEMBL2380826)Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H20N4O2/c1-16-6-8-17(9-7-16)25(31)29-19-12-10-18(11-13-19)28-22-14-15-27-24-23(22)20-4-2-3-5-21(20)26(32)30-24/h2-15H,1H3,(H,29,31)(H2,27,28,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433639
(CHEMBL2380826)Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H20N4O2/c1-16-6-8-17(9-7-16)25(31)29-19-12-10-18(11-13-19)28-22-14-15-27-24-23(22)20-4-2-3-5-21(20)26(32)30-24/h2-15H,1H3,(H,29,31)(H2,27,28,30,32) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433631
(CHEMBL2380838)Show SMILES COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H19FN4O3/c1-34-21-8-4-7-19(27)23(21)26(33)30-16-11-9-15(10-12-16)29-20-13-14-28-24-22(20)17-5-2-3-6-18(17)25(32)31-24/h2-14H,1H3,(H,30,33)(H2,28,29,31,32) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243685
(CHEMBL4084573)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc2ccccc12 Show InChI InChI=1S/C26H29ClN6/c27-22-10-8-19(9-11-22)12-15-33(18-21-6-3-5-20-4-1-2-7-24(20)21)23-13-16-32(17-14-23)26-29-25(28)30-31-26/h1-11,23H,12-18H2,(H3,28,29,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243795
(CHEMBL4077644)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433641
(CHEMBL2380824)Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H17F3N4O2/c27-26(28,29)20-8-4-3-7-19(20)25(35)32-16-11-9-15(10-12-16)31-21-13-14-30-23-22(21)17-5-1-2-6-18(17)24(34)33-23/h1-14H,(H,32,35)(H2,30,31,33,34) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433638
(CHEMBL2380827)Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H17FN4O2/c26-16-7-5-15(6-8-16)24(31)29-18-11-9-17(10-12-18)28-21-13-14-27-23-22(21)19-3-1-2-4-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433629
(CHEMBL2380845)Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433634
(CHEMBL2380831)Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H16F2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h1-13H,(H,30,33)(H2,28,29,31,32) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243799
(CHEMBL4077482)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433637
(CHEMBL2380828)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H17F3N4O2/c27-26(28,29)16-7-5-15(6-8-16)24(34)32-18-11-9-17(10-12-18)31-21-13-14-30-23-22(21)19-3-1-2-4-20(19)25(35)33-23/h1-14H,(H,32,34)(H2,30,31,33,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Mus musculus) | BDBM50243685
(CHEMBL4084573)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc2ccccc12 Show InChI InChI=1S/C26H29ClN6/c27-22-10-8-19(9-11-22)12-15-33(18-21-6-3-5-20-4-1-2-7-24(20)21)23-13-16-32(17-14-23)26-29-25(28)30-31-26/h1-11,23H,12-18H2,(H3,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433632
(CHEMBL2380833)Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H16F2N4O2/c26-15-11-14(12-16(27)13-15)24(32)30-18-7-5-17(6-8-18)29-21-9-10-28-23-22(21)19-3-1-2-4-20(19)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433643
(CHEMBL2380839)Show SMILES COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H20N4O3/c1-33-22-9-5-4-8-20(22)26(32)29-17-12-10-16(11-13-17)28-21-14-15-27-24-23(21)18-6-2-3-7-19(18)25(31)30-24/h2-15H,1H3,(H,29,32)(H2,27,28,30,31) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433640
(CHEMBL2380825)Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H17FN4O2/c26-16-5-3-4-15(14-16)24(31)29-18-10-8-17(9-11-18)28-21-12-13-27-23-22(21)19-6-1-2-7-20(19)25(32)30-23/h1-14H,(H,29,31)(H2,27,28,30,32) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433652
(CHEMBL2380835)Show SMILES Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H16F4N4O2/c27-22-18(6-3-7-19(22)26(28,29)30)25(36)33-15-10-8-14(9-11-15)32-20-12-13-31-23-21(20)16-4-1-2-5-17(16)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433633
(CHEMBL2380832)Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H16F2N4O2/c26-19-10-5-14(13-20(19)27)24(32)30-16-8-6-15(7-9-16)29-21-11-12-28-23-22(21)17-3-1-2-4-18(17)25(33)31-23/h1-13H,(H,30,32)(H2,28,29,31,33) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Mus musculus) | BDBM50243760
(CHEMBL4082060)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCC1 Show InChI InChI=1S/C22H33ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h6-9,18,20H,1-5,10-16H2,(H3,24,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Mus musculus) | BDBM50243746
(CHEMBL4068944)Show SMILES CC(C)CN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29BrN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243746
(CHEMBL4068944)Show SMILES CC(C)CN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29BrN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243760
(CHEMBL4082060)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCC1 Show InChI InChI=1S/C22H33ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h6-9,18,20H,1-5,10-16H2,(H3,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433642
(CHEMBL2380823)Show SMILES Fc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C25H17FN4O2/c26-20-8-4-3-7-19(20)25(32)29-16-11-9-15(10-12-16)28-21-13-14-27-23-22(21)17-5-1-2-6-18(17)24(31)30-23/h1-14H,(H,29,32)(H2,27,28,30,31) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433653
(CHEMBL2380837)Show SMILES Fc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 Show InChI InChI=1S/C26H16F4N4O2/c27-16-12-14(11-15(13-16)26(28,29)30)24(35)33-18-7-5-17(6-8-18)32-21-9-10-31-23-22(21)19-3-1-2-4-20(19)25(36)34-23/h1-13H,(H,33,35)(H2,31,32,34,36) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50433654
(CHEMBL2380836)Show SMILES Fc1cc(ccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-20-13-14(26(28,29)30)5-10-19(20)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-A (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Mus musculus) | BDBM50243795
(CHEMBL4077644)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Mus musculus) | BDBM50243799
(CHEMBL4077482)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of [3H]GBR-12935 binding to the dopamine transporter. |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50433646
(CHEMBL2380846)Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1 Show InChI InChI=1S/C24H17N5O2/c30-23(15-6-2-1-3-7-15)28-20-11-10-16(14-26-20)27-19-12-13-25-22-21(19)17-8-4-5-9-18(17)24(31)29-22/h1-14H,(H,26,28,30)(H2,25,27,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of aurora-B (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |
Acidic mammalian chitinase
(Homo sapiens (Human)) | BDBM50243745
(CHEMBL4076989)Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-bet... |
J Med Chem 61: 695-710 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50433629
(CHEMBL2380845)Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
EMD Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Ret (unknown origin) |
Bioorg Med Chem Lett 23: 3081-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z |
More data for this Ligand-Target Pair | |