BDBM50342958 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-((1R,3R,5R)-3-(2-(methylamino)thiazol-4-yl)-2-azabicyclo[3.1.0]hexan-2-yl)-4-oxobutanamide::CHEMBL1770824
SMILES: CNc1nc(cs1)[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1
InChI Key: InChIKey=MGJFSYHPCJKUCF-BMSGLIPJSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50342958 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 |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50342958
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)Show SMILES CNc1nc(cs1)[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H28N6O4S/c1-13(14-4-6-16(7-5-14)29-9-3-8-26-29)27-22(33)20(31)21(32)23(34)30-18-10-15(18)11-19(30)17-12-35-24(25-2)28-17/h3-9,12-13,15,18-21,31-32H,10-11H2,1-2H3,(H,25,28)(H,27,33)/t13-,15-,18-,19-,20-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of TACE |
Bioorg Med Chem Lett 21: 3172-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.002 BindingDB Entry DOI: 10.7270/Q28P60T1 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50342958
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)Show SMILES CNc1nc(cs1)[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H28N6O4S/c1-13(14-4-6-16(7-5-14)29-9-3-8-26-29)27-22(33)20(31)21(32)23(34)30-18-10-15(18)11-19(30)17-12-35-24(25-2)28-17/h3-9,12-13,15,18-21,31-32H,10-11H2,1-2H3,(H,25,28)(H,27,33)/t13-,15-,18-,19-,20-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 707 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of TACE by cell based assay |
Bioorg Med Chem Lett 21: 3172-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.002 BindingDB Entry DOI: 10.7270/Q28P60T1 |
More data for this Ligand-Target Pair | |