BDBM50309156 (2R,3R)-N-(4-benzylbenzyl)-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL601735
SMILES: O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccccc2)cc1
InChI Key: InChIKey=OELMDIRJWGQCSO-KPRFIHOGSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50309156 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)) | BDBM50309156
((2R,3R)-N-(4-benzylbenzyl)-4-(2-(3-chlorophenyl)py...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H29ClN2O4/c29-23-9-4-8-22(17-23)24-10-5-15-31(24)28(35)26(33)25(32)27(34)30-18-21-13-11-20(12-14-21)16-19-6-2-1-3-7-19/h1-4,6-9,11-14,17,24-26,32-33H,5,10,15-16,18H2,(H,30,34)/t24?,25-,26-/m1/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
| 70 | 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 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50309156
((2R,3R)-N-(4-benzylbenzyl)-4-(2-(3-chlorophenyl)py...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H29ClN2O4/c29-23-9-4-8-22(17-23)24-10-5-15-31(24)28(35)26(33)25(32)27(34)30-18-21-13-11-20(12-14-21)16-19-6-2-1-3-7-19/h1-4,6-9,11-14,17,24-26,32-33H,5,10,15-16,18H2,(H,30,34)/t24?,25-,26-/m1/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
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Cambridge
Curated by ChEMBL
| Assay Description Inhibition of TACE |
Bioorg Med Chem Lett 20: 1189-93 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.004 BindingDB Entry DOI: 10.7270/Q2BK1CFB |
More data for this Ligand-Target Pair | |