BDBM50342955 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((2R,4R)-2-(2-(ethylamino)thiazol-4-yl)-4-methylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1770821
SMILES: CCNc1nc(cs1)[C@H]1C[C@@H](C)CN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1
InChI Key: InChIKey=SCBKQDHXBDGKCY-ZMWUJFKZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50342955 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)) | BDBM50342955
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)Show SMILES CCNc1nc(cs1)[C@H]1C[C@@H](C)CN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-4-26-25-29-19(14-36-25)20-12-15(2)13-30(20)24(35)22(33)21(32)23(34)28-16(3)17-6-8-18(9-7-17)31-11-5-10-27-31/h5-11,14-16,20-22,32-33H,4,12-13H2,1-3H3,(H,26,29)(H,28,34)/t15-,16-,20-,21-,22-/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
| 6 | 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)) | BDBM50342955
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)Show SMILES CCNc1nc(cs1)[C@H]1C[C@@H](C)CN1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-4-26-25-29-19(14-36-25)20-12-15(2)13-30(20)24(35)22(33)21(32)23(34)28-16(3)17-6-8-18(9-7-17)31-11-5-10-27-31/h5-11,14-16,20-22,32-33H,4,12-13H2,1-3H3,(H,26,29)(H,28,34)/t15-,16-,20-,21-,22-/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 | 4.04E+3 | 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 | |