Found 1065 hits with Last Name = 'barbosa' and Initial = 'j' 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 |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50417287
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)| Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3A receptor |
Eur J Med Chem 45: 4746-60 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.039 BindingDB Entry DOI: 10.7270/Q2CV4K06 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50160851
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H15N3O7/c24-15-9-10-20(17(27)21-19(29)22-18(20)28)23(15)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)16(25)26/h1-8H,9-10H2,(H,25,26)(H2,21,22,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160843
(1-[4-(4-Phenoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc(Oc4ccccc4)cc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25)31)28(21)16-6-8-18(9-7-16)34-20-12-10-19(11-13-20)33-17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,26,27,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50160855
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity for matrix metalloproteinase 13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity for matrix metalloproteinase 13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity for matrix metalloproteinase 13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160855
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160851
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H15N3O7/c24-15-9-10-20(17(27)21-19(29)22-18(20)28)23(15)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)16(25)26/h1-8H,9-10H2,(H,25,26)(H2,21,22,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160855
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160849
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES COC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C21H17N3O7/c1-30-17(26)12-2-6-14(7-3-12)31-15-8-4-13(5-9-15)24-16(25)10-11-21(24)18(27)22-20(29)23-19(21)28/h2-9H,10-11H2,1H3,(H2,22,23,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM111939
(US8618107, 105)Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full length His-tagged BTK expressed in baculovirus expression system by Z-LYTE assay |
ACS Med Chem Lett 8: 608-613 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50160847
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50160843
(1-[4-(4-Phenoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc(Oc4ccccc4)cc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25)31)28(21)16-6-8-18(9-7-16)34-20-12-10-19(11-13-20)33-17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,26,27,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160848
(1-[4-(3-Methoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES COc1cccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)c1 Show InChI InChI=1S/C20H17N3O6/c1-28-14-3-2-4-15(11-14)29-13-7-5-12(6-8-13)23-16(24)9-10-20(23)17(25)21-19(27)22-18(20)26/h2-8,11H,9-10H2,1H3,(H2,21,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160843
(1-[4-(4-Phenoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc(Oc4ccccc4)cc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25)31)28(21)16-6-8-18(9-7-16)34-20-12-10-19(11-13-20)33-17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,26,27,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160851
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C20H15N3O7/c24-15-9-10-20(17(27)21-19(29)22-18(20)28)23(15)12-3-7-14(8-4-12)30-13-5-1-11(2-6-13)16(25)26/h1-8H,9-10H2,(H,25,26)(H2,21,22,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50000483
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Modena and Reggio Emilia
Curated by ChEMBL
| Assay Description Binding affinity to 5HT3A receptor |
Eur J Med Chem 45: 4746-60 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.039 BindingDB Entry DOI: 10.7270/Q2CV4K06 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160849
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES COC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C21H17N3O7/c1-30-17(26)12-2-6-14(7-3-12)31-15-8-4-13(5-9-15)24-16(25)10-11-21(24)18(27)22-20(29)23-19(21)28/h2-9H,10-11H2,1H3,(H2,22,23,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160847
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50160849
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES COC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C21H17N3O7/c1-30-17(26)12-2-6-14(7-3-12)31-15-8-4-13(5-9-15)24-16(25)10-11-21(24)18(27)22-20(29)23-19(21)28/h2-9H,10-11H2,1H3,(H2,22,23,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50160847
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-9 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160850
(1-[4-(Benzo[1,3]dioxol-5-yloxy)-phenyl]-1,7,9-tria...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc4OCOc4c3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C20H15N3O7/c24-16-7-8-20(17(25)21-19(27)22-18(20)26)23(16)11-1-3-12(4-2-11)30-13-5-6-14-15(9-13)29-10-28-14/h1-6,9H,7-8,10H2,(H2,21,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160854
(1-[4-(4-Methoxy-pyridin-3-yloxy)-phenyl]-1,7,9-tri...)Show SMILES COc1ccncc1Oc1ccc(cc1)N1C(=O)CCC11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C19H16N4O6/c1-28-13-7-9-20-10-14(13)29-12-4-2-11(3-5-12)23-15(24)6-8-19(23)16(25)21-18(27)22-17(19)26/h2-5,7,9-10H,6,8H2,1H3,(H2,21,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160856
(1-[4-(3-Chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)Show SMILES Clc1cccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)c1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-2-1-3-14(10-11)28-13-6-4-12(5-7-13)23-15(24)8-9-19(23)16(25)21-18(27)22-17(19)26/h1-7,10H,8-9H2,(H2,21,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50064027
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for human receptor subtype hSSTR4. |
J Med Chem 41: 1382-91 (1998)
Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160853
(1-[4-(2-Methoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES COc1ccccc1Oc1ccc(cc1)N1C(=O)CCC11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C20H17N3O6/c1-28-14-4-2-3-5-15(14)29-13-8-6-12(7-9-13)23-16(24)10-11-20(23)17(25)21-19(27)22-18(20)26/h2-9H,10-11H2,1H3,(H2,21,22,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50160843
(1-[4-(4-Phenoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc(Oc4ccccc4)cc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25)31)28(21)16-6-8-18(9-7-16)34-20-12-10-19(11-13-20)33-17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,26,27,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160844
(1-(4-Bromo-phenyl)-1,7,9-triaza-spiro[4.5]decane-2...)Show InChI InChI=1S/C13H10BrN3O4/c14-7-1-3-8(4-2-7)17-9(18)5-6-13(17)10(19)15-12(21)16-11(13)20/h1-4H,5-6H2,(H2,15,16,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50064027
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for human receptor subtype hSSTR1 |
J Med Chem 41: 1382-91 (1998)
Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50160855
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-3 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50064025
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for human receptor subtype hSSTR4. |
J Med Chem 41: 1382-91 (1998)
Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q |
More data for this Ligand-Target Pair | |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50438272
(CHEMBL560455)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal Fluminense
Curated by ChEMBL
| Assay Description Inhibition of Human immunodeficiency virus 1 reverse transcriptase |
Bioorg Med Chem Lett 22: 5055-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.020 BindingDB Entry DOI: 10.7270/Q2VX0KCN |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM11863
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-1 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50064025
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for human receptor subtype hSSTR2 |
J Med Chem 41: 1382-91 (1998)
Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50064025
(CHEMBL282129 | N*1*-{(2R,3R,4S,5R,6R)-3,4,5-Tris-b...)Show SMILES NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 Show InChI InChI=1S/C42H51N3O5/c43-24-13-4-14-25-44-28-38-39(47-29-32-15-5-1-6-16-32)40(48-30-33-17-7-2-8-18-33)41(49-31-34-19-9-3-10-20-34)42(50-38)46-26-23-35-27-45-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44-45H,4,13-14,23-26,28-31,43H2/t38-,39-,40+,41-,42-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for human receptor subtype hSSTR3. |
J Med Chem 41: 1382-91 (1998)
Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50064027
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for human receptor subtype hSSTR2 |
J Med Chem 41: 1382-91 (1998)
Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50064027
(5-{(2S,3S,4R,5R,6S)-3,4-Bis-benzyloxy-5-(1H-imidaz...)Show SMILES NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 Show InChI InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Binding affinity for human receptor subtype hSSTR3. |
J Med Chem 41: 1382-91 (1998)
Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50160846
(1-Biphenyl-4-yl-1,7,9-triaza-spiro[4.5]decane-2,6,...)Show SMILES O=C1CCC2(N1c1ccc(cc1)-c1ccccc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C19H15N3O4/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,20,21,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 934 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50160843
(1-[4-(4-Phenoxy-phenoxy)-phenyl]-1,7,9-triaza-spir...)Show SMILES O=C1CCC2(N1c1ccc(Oc3ccc(Oc4ccccc4)cc3)cc1)C(=O)NC(=O)NC2=O Show InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25)31)28(21)16-6-8-18(9-7-16)34-20-12-10-19(11-13-20)33-17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,26,27,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of TNF-alpha converting enzyme (TACE, ADAM17) |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50160852
(4-ethyl-1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4....)Show SMILES CCC1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C11C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H19N3O5/c1-2-13-12-17(25)24(21(13)18(26)22-20(28)23-19(21)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H2,22,23,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of TNF-alpha converting enzyme (TACE, ADAM17) |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50160849
(4-[4-(2,6,8,10-Tetraoxo-1,7,9-triaza-spiro[4.5]dec...)Show SMILES COC(=O)c1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C21H17N3O7/c1-30-17(26)12-2-6-14(7-3-12)31-15-8-4-13(5-9-15)24-16(25)10-11-21(24)18(27)22-20(29)23-19(21)28/h2-9H,10-11H2,1H3,(H2,22,23,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of TNF-alpha converting enzyme (TACE, ADAM17) |
Bioorg Med Chem Lett 15: 1101-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.016 BindingDB Entry DOI: 10.7270/Q2F47NN2 |
More data for this Ligand-Target Pair | |