BDBM50301107 CHEMBL572301::isopropyl-(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)piperidin-3-yl(methyl)carbamate
SMILES: CC(C)OC(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1
InChI Key: InChIKey=VLUAXQQDRZDFOF-YPJRHXLCSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50301107 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 |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50301107
(CHEMBL572301 | isopropyl-(5S,6S)-5-(hydroxycarbamo...)Show SMILES CC(C)OC(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:24| Show InChI InChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1 | PDB MMDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description Inhibition of HER-2 |
Bioorg Med Chem Lett 19: 5037-42 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)
(Homo sapiens (Human)) | BDBM50301107
(CHEMBL572301 | isopropyl-(5S,6S)-5-(hydroxycarbamo...)Show SMILES CC(C)OC(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:24| Show InChI InChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description Inhibition of ADAM-10 |
Bioorg Med Chem Lett 19: 5037-42 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S |
More data for this Ligand-Target Pair | |