Found 187 hits with Last Name = 'schulte' and Initial = 'gk' 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 |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123058
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidin-1-ylsulf...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C20H18Cl2N4O6S/c21-14-8-12(26-20(29)24-18(28)11-23-26)9-15(22)19(14)32-13-4-5-16(27)17(10-13)33(30,31)25-6-2-1-3-7-25/h4-5,8-11,27H,1-3,6-7H2,(H,24,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123046
(2-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-...)Show SMILES CC(C)c1cc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)ccc1O Show InChI InChI=1S/C20H21N3O4/c1-11(2)16-9-15(5-6-17(16)24)27-19-12(3)7-14(8-13(19)4)23-20(26)22-18(25)10-21-23/h5-11,24H,1-4H3,(H,22,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123044
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4| Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123044
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)Show SMILES CC1(C)C2CC1C(CC2)NC(=O)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O |THB:9:6:1:4| Show InChI InChI=1S/C25H24Cl2N4O5/c1-25(2)12-3-5-19(16(25)7-12)29-23(34)15-10-14(4-6-20(15)32)36-22-17(26)8-13(9-18(22)27)31-24(35)30-21(33)11-28-31/h4,6,8-12,16,19,32H,3,5,7H2,1-2H3,(H,29,34)(H,30,33,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123045
(CHEMBL413699 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C22H20Cl2N4O5/c23-16-8-13(28-22(32)27-19(30)11-25-28)9-17(24)20(16)33-14-6-7-18(29)15(10-14)21(31)26-12-4-2-1-3-5-12/h6-12,29H,1-5H2,(H,26,31)(H,27,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123054
(5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-tri...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C21H14Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h1-11,26,28H,(H,25,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123064
(2-(3-chloro-4-(4-hydroxy-3-(piperidin-1-ylsulfonyl...)Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C21H21ClN4O6S/c1-13-9-14(26-21(29)24-19(28)12-23-26)10-16(22)20(13)32-15-5-6-17(27)18(11-15)33(30,31)25-7-3-2-4-8-25/h5-6,9-12,27H,2-4,7-8H2,1H3,(H,24,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123063
(2-{3,5-Dichloro-4-[4-hydroxy-3-(indole-1-sulfonyl)...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)n1ccc2ccccc12 Show InChI InChI=1S/C23H14Cl2N4O6S/c24-16-9-14(29-23(32)27-21(31)12-26-29)10-17(25)22(16)35-15-5-6-19(30)20(11-15)36(33,34)28-8-7-13-3-1-2-4-18(13)28/h1-12,30H,(H,27,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123052
(2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxol...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(CCCO1)C2 |TLB:34:33:27:29.30,THB:24:27:33.38.32:29.30,37:33:27:29.30| Show InChI InChI=1S/C25H24Cl2N4O7S/c26-18-8-16(30-24(34)29-22(33)13-28-30)9-19(27)23(18)38-17-4-5-20(32)21(10-17)39(35,36)31-14-2-3-15(31)12-25(11-14)6-1-7-37-25/h4-5,8-10,13-15,32H,1-3,6-7,11-12H2,(H,29,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123061
(2-[4-(3-{8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)N1C2CCC1CC1(C2)OCCO1 |THB:24:27:33.32.34:29.30| Show InChI InChI=1S/C24H22Cl2N4O8S/c25-17-7-15(29-23(33)28-21(32)12-27-29)8-18(26)22(17)38-16-3-4-19(31)20(9-16)39(34,35)30-13-1-2-14(30)11-24(10-13)36-5-6-37-24/h3-4,7-9,12-14,31H,1-2,5-6,10-11H2,(H,28,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123059
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2 Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123059
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2 Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123057
(CHEMBL124039 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCC1 Show InChI InChI=1S/C19H16Cl2N4O6S/c20-13-6-11(25-19(28)23-17(27)9-22-25)7-14(21)18(13)31-12-4-5-15(26)16(8-12)32(29,30)24-10-2-1-3-10/h4-10,24,26H,1-3H2,(H,23,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123062
(CHEMBL340158 | N-Cyclohexyl-5-[2,6-dichloro-4-(3,5...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1S(=O)(=O)NC1CCCCC1 Show InChI InChI=1S/C21H20Cl2N4O6S/c22-15-8-13(27-21(30)25-19(29)11-24-27)9-16(23)20(15)33-14-6-7-17(28)18(10-14)34(31,32)26-12-4-2-1-3-5-12/h6-12,26,28H,1-5H2,(H,25,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123056
(2-(4-(4-hydroxy-3-(piperidin-1-ylsulfonyl)phenoxy)...)Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C22H24N4O6S/c1-14-10-16(26-22(29)24-20(28)13-23-26)11-15(2)21(14)32-17-6-7-18(27)19(12-17)33(30,31)25-8-4-3-5-9-25/h6-7,10-13,27H,3-5,8-9H2,1-2H3,(H,24,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123059
(2-{4-[3-(2-Aza-bicyclo[2.2.1]heptane-2-carbonyl)-4...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CC2CCC1C2 Show InChI InChI=1S/C22H18Cl2N4O5/c23-16-6-13(28-22(32)26-19(30)9-25-28)7-17(24)20(16)33-14-3-4-18(29)15(8-14)21(31)27-10-11-1-2-12(27)5-11/h3-4,6-9,11-12,29H,1-2,5,10H2,(H,26,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123049
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123050
(CHEMBL124318 | N-Cyclobutyl-5-[2,6-dichloro-4-(3,5...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)NC1CCC1 Show InChI InChI=1S/C20H16Cl2N4O5/c21-14-6-11(26-20(30)25-17(28)9-23-26)7-15(22)18(14)31-12-4-5-16(27)13(8-12)19(29)24-10-2-1-3-10/h4-10,27H,1-3H2,(H,24,29)(H,25,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123055
(2-(3,5-dichloro-4-(4-hydroxy-3-(morpholine-4-carbo...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCOCC1 Show InChI InChI=1S/C20H16Cl2N4O6/c21-14-7-11(26-20(30)24-17(28)10-23-26)8-15(22)18(14)32-12-1-2-16(27)13(9-12)19(29)25-3-5-31-6-4-25/h1-2,7-10,27H,3-6H2,(H,24,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50073839
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of recombinant matrix metalloprotease-3 (MMP-3) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123060
(2-{3-Chloro-4-[4-hydroxy-3-(piperidine-1-carbonyl)...)Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)C(=O)N1CCCCC1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C22H21ClN4O5/c1-13-9-14(27-22(31)25-19(29)12-24-27)10-17(23)20(13)32-15-5-6-18(28)16(11-15)21(30)26-7-3-2-4-8-26/h5-6,9-12,28H,2-4,7-8H2,1H3,(H,25,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123053
(2-[3,5-Dimethyl-4-(3-methyl-4-methylsulfanyl-pheno...)Show SMILES CSc1ccc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)cc1C Show InChI InChI=1S/C19H19N3O3S/c1-11-9-15(5-6-16(11)26-4)25-18-12(2)7-14(8-13(18)3)22-19(24)21-17(23)10-20-22/h5-10H,1-4H3,(H,21,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50073823
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of recombinant matrix metalloprotease-2 (MMP-2) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123047
(2-{3-Chloro-4-[4-hydroxy-3-(4-methyl-piperazine-1-...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(Oc2c(C)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)ccc1O Show InChI InChI=1S/C21H22ClN5O6S/c1-13-9-14(27-21(30)24-19(29)12-23-27)10-16(22)20(13)33-15-3-4-17(28)18(11-15)34(31,32)26-7-5-25(2)6-8-26/h3-4,9-12,28H,5-8H2,1-2H3,(H,24,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50073839
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of recombinant matrix metalloprotease-2 (MMP-2) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123048
(2-(3-chloro-4-(4-hydroxy-3-(morpholinosulfonyl)phe...)Show SMILES Cc1cc(cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)N1CCOCC1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C20H19ClN4O7S/c1-12-8-13(25-20(28)23-18(27)11-22-25)9-15(21)19(12)32-14-2-3-16(26)17(10-14)33(29,30)24-4-6-31-7-5-24/h2-3,8-11,26H,4-7H2,1H3,(H,23,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50073823
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of recombinant matrix metalloprotease-3 (MMP-3) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123051
(1-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-...)Show InChI InChI=1S/C21H26N2O3/c1-13(2)18-12-17(6-7-19(18)24)26-20-14(3)10-16(11-15(20)4)23-9-5-8-22-21(23)25/h6-7,10-13,24H,5,8-9H2,1-4H3,(H,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against [125I]-T3 binding to human TRbeta1 receptor |
Bioorg Med Chem Lett 13: 379-82 (2003)
BindingDB Entry DOI: 10.7270/Q26T0KZB |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50285792
(4-Oxo-piperidine-1-carboxylic acid {(S)-1-[(R)-1-(...)Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C33H52N4O6S/c1-22(2)18-29(39)30(40)26(19-23-10-6-4-7-11-23)34-32(42)28(21-44-3)35-31(41)27(20-24-12-8-5-9-13-24)36-33(43)37-16-14-25(38)15-17-37/h5,8-9,12-13,22-23,26-30,39-40H,4,6-7,10-11,14-21H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)/t26-,27-,28-,29-,30+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition against recombinant human renin (rHR) |
Bioorg Med Chem Lett 5: 2623-2626 (1995)
Article DOI: 10.1016/0960-894X(95)00456-4 BindingDB Entry DOI: 10.7270/Q2C24WDC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50118009
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-2-yl-phe...)Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-11-16-17(12-19(18)27-4-2)23-13-24-20(16)25-15-7-5-6-14(10-15)21-22-8-9-28-21/h5-13H,3-4H2,1-2H3,(H,23,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase |
J Med Chem 45: 3865-77 (2002)
BindingDB Entry DOI: 10.7270/Q2PN94Z0 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50117952
((6,7-Diethoxy-quinazolin-4-yl)-(3-furan-2-yl-pheny...)Show InChI InChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase |
J Med Chem 45: 3865-77 (2002)
BindingDB Entry DOI: 10.7270/Q2PN94Z0 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50095256
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-4-fluor...)Show InChI InChI=1S/C18H14FN3O2/c1-4-11-7-12(5-6-14(11)19)22-18-13-8-16(23-2)17(24-3)9-15(13)20-10-21-18/h1,5-10H,2-3H3,(H,20,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase |
J Med Chem 45: 3865-77 (2002)
BindingDB Entry DOI: 10.7270/Q2PN94Z0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113040
((2R,4R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES COC(=O)[C@@H]1CCN([C@H](C1)C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H23FN2O7S/c1-30-21(26)15-10-11-24(19(12-15)20(25)23-27)32(28,29)18-8-6-17(7-9-18)31-13-14-2-4-16(22)5-3-14/h2-9,15,19,27H,10-13H2,1H3,(H,23,25)/t15-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113041
((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...)Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113028
((2R,4S)-4-Hydroxy-1-[4-(2-methyl-benzyloxy)-benzen...)Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CC[C@H](O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H24N2O6S/c1-14-4-2-3-5-15(14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113035
((2R,4S)-1-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H21ClN2O6S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)29(26,27)22-10-9-15(23)11-18(22)19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113046
((2R,5R)-5-Hydroxy-1-[4-(2-iodo-benzyloxy)-benzenes...)Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2I)cc1 Show InChI InChI=1S/C19H21IN2O6S/c20-17-4-2-1-3-13(17)12-28-15-6-8-16(9-7-15)29(26,27)22-11-14(23)5-10-18(22)19(24)21-25/h1-4,6-9,14,18,23,25H,5,10-12H2,(H,21,24)/t14-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113048
((2R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-5-hydroxy-...)Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O6S/c22-15-6-11-18(19(23)20-24)21(12-15)28(25,26)17-9-7-16(8-10-17)27-13-14-4-2-1-3-5-14/h1-5,7-10,15,18,22,24H,6,11-13H2,(H,20,23)/t15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113044
((2R,5R)-5-Hydroxy-1-[4-(2-methyl-benzyloxy)-benzen...)Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO Show InChI InChI=1S/C20H24N2O6S/c1-14-4-2-3-5-15(14)13-28-17-7-9-18(10-8-17)29(26,27)22-12-16(23)6-11-19(22)20(24)21-25/h2-5,7-10,16,19,23,25H,6,11-13H2,1H3,(H,21,24)/t16-,19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50113029
((2R,4R)-1-[4-(4-Fluoro-phenoxy)-benzenesulfonyl]-2...)Show SMILES COC(=O)[C@@H]1CCN([C@H](C1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H21FN2O7S/c1-29-20(25)13-10-11-23(18(12-13)19(24)22-26)31(27,28)17-8-6-16(7-9-17)30-15-4-2-14(21)3-5-15/h2-9,13,18,26H,10-12H2,1H3,(H,22,24)/t13-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113038
((2R,4S)-1-(4-Benzyloxy-benzenesulfonyl)-4-hydroxy-...)Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O6S/c22-15-10-11-21(18(12-15)19(23)20-24)28(25,26)17-8-6-16(7-9-17)27-13-14-4-2-1-3-5-14/h1-9,15,18,22,24H,10-13H2,(H,20,23)/t15-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113034
((2R,4S)-1-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C19H21ClN2O6S/c20-14-3-1-2-13(10-14)12-28-16-4-6-17(7-5-16)29(26,27)22-9-8-15(23)11-18(22)19(24)21-25/h1-7,10,15,18,23,25H,8-9,11-12H2,(H,21,24)/t15-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113045
((2R,5R)-1-[4-(2-Ethyl-benzyloxy)-benzenesulfonyl]-...)Show SMILES CCc1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO Show InChI InChI=1S/C21H26N2O6S/c1-2-15-5-3-4-6-16(15)14-29-18-8-10-19(11-9-18)30(27,28)23-13-17(24)7-12-20(23)21(25)22-26/h3-6,8-11,17,20,24,26H,2,7,12-14H2,1H3,(H,22,25)/t17-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113037
((2R,5R)-5-Hydroxy-1-[4-(4-trifluoromethyl-benzylox...)Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)14-3-1-13(2-4-14)12-31-16-6-8-17(9-7-16)32(29,30)25-11-15(26)5-10-18(25)19(27)24-28/h1-4,6-9,15,18,26,28H,5,10-12H2,(H,24,27)/t15-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50117986
((6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-pyrazol-3-yl...)Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cc[nH]n3)c2cc1OCC Show InChI InChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase |
J Med Chem 45: 3865-77 (2002)
BindingDB Entry DOI: 10.7270/Q2PN94Z0 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50117983
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-5-yl-phe...)Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-20/h5-13H,3-4H2,1-2H3,(H,23,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase |
J Med Chem 45: 3865-77 (2002)
BindingDB Entry DOI: 10.7270/Q2PN94Z0 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113039
((2R,5R)-5-Hydroxy-1-[4-(2-isopropyl-benzyloxy)-ben...)Show SMILES CC(C)c1ccccc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-15(2)20-6-4-3-5-16(20)14-30-18-8-10-19(11-9-18)31(28,29)24-13-17(25)7-12-21(24)22(26)23-27/h3-6,8-11,15,17,21,25,27H,7,12-14H2,1-2H3,(H,23,26)/t17-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50113024
((2R,4S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H21FN2O6S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)29(26,27)22-10-9-15(23)11-18(22)19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme |
Bioorg Med Chem Lett 12: 1387-90 (2002)
BindingDB Entry DOI: 10.7270/Q2GQ6X30 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50073830
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)Show SMILES CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this Ligand-Target Pair | |