Found 7 hits for monomerid = 50337728 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM50337728
(CHEMBL1683445 | N-((2S,4S)-1-(4-(4-fluorophenyl)pi...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H27F2N5O4S/c1-16(20-24-12-18(23)13-25-20)11-21(2,28(30)15-29)14-33(31,32)27-9-7-26(8-10-27)19-5-3-17(22)4-6-19/h3-6,12-13,15-16,30H,7-11,14H2,1-2H3/t16-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036 BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14 (MMP14)
(Homo sapiens (Human)) | BDBM50337728
(CHEMBL1683445 | N-((2S,4S)-1-(4-(4-fluorophenyl)pi...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H27F2N5O4S/c1-16(20-24-12-18(23)13-25-20)11-21(2,28(30)15-29)14-33(31,32)27-9-7-26(8-10-27)19-5-3-17(22)4-6-19/h3-6,12-13,15-16,30H,7-11,14H2,1-2H3/t16-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MMP14 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036 BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50337728
(CHEMBL1683445 | N-((2S,4S)-1-(4-(4-fluorophenyl)pi...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H27F2N5O4S/c1-16(20-24-12-18(23)13-25-20)11-21(2,28(30)15-29)14-33(31,32)27-9-7-26(8-10-27)19-5-3-17(22)4-6-19/h3-6,12-13,15-16,30H,7-11,14H2,1-2H3/t16-,21-/m0/s1 | 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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MMP13 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036 BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM50337728
(CHEMBL1683445 | N-((2S,4S)-1-(4-(4-fluorophenyl)pi...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H27F2N5O4S/c1-16(20-24-12-18(23)13-25-20)11-21(2,28(30)15-29)14-33(31,32)27-9-7-26(8-10-27)19-5-3-17(22)4-6-19/h3-6,12-13,15-16,30H,7-11,14H2,1-2H3/t16-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
| Assay Description Protein concentrations were measured using the Micro BCA Protein Assay Kit (Pierce/Thermo Scientific, IL). Sample buffer was mixed with 5-25 μg ... |
Bioorg Med Chem Lett 19: 4280-3 (2009)
BindingDB Entry DOI: 10.7270/Q2BC41VN |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50337728
(CHEMBL1683445 | N-((2S,4S)-1-(4-(4-fluorophenyl)pi...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H27F2N5O4S/c1-16(20-24-12-18(23)13-25-20)11-21(2,28(30)15-29)14-33(31,32)27-9-7-26(8-10-27)19-5-3-17(22)4-6-19/h3-6,12-13,15-16,30H,7-11,14H2,1-2H3/t16-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MMP1 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036 BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50337728
(CHEMBL1683445 | N-((2S,4S)-1-(4-(4-fluorophenyl)pi...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H27F2N5O4S/c1-16(20-24-12-18(23)13-25-20)11-21(2,28(30)15-29)14-33(31,32)27-9-7-26(8-10-27)19-5-3-17(22)4-6-19/h3-6,12-13,15-16,30H,7-11,14H2,1-2H3/t16-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036 BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50337728
(CHEMBL1683445 | N-((2S,4S)-1-(4-(4-fluorophenyl)pi...)Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C21H27F2N5O4S/c1-16(20-24-12-18(23)13-25-20)11-21(2,28(30)15-29)14-33(31,32)27-9-7-26(8-10-27)19-5-3-17(22)4-6-19/h3-6,12-13,15-16,30H,7-11,14H2,1-2H3/t16-,21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 21: 1376-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.036 BindingDB Entry DOI: 10.7270/Q2DV1K5M |
More data for this Ligand-Target Pair | |