Found 3 hits for monomerid = 50189358 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 |
Caspase-1
(Homo sapiens (Human)) | BDBM50189358
(2-(carbamoyl)-N'-(3-methylbenzoyl)-2,3-dihydro-1H-...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H23N3O6/c1-13-5-4-8-14(9-13)19(28)25-26-22(31)23(11-15-6-2-3-7-16(15)12-23)21(30)24-17-10-18(27)32-20(17)29/h2-9,17,20,29H,10-12H2,1H3,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189358
(2-(carbamoyl)-N'-(3-methylbenzoyl)-2,3-dihydro-1H-...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H23N3O6/c1-13-5-4-8-14(9-13)19(28)25-26-22(31)23(11-15-6-2-3-7-16(15)12-23)21(30)24-17-10-18(27)32-20(17)29/h2-9,17,20,29H,10-12H2,1H3,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50189358
(2-(carbamoyl)-N'-(3-methylbenzoyl)-2,3-dihydro-1H-...)Show SMILES Cc1cccc(c1)C(=O)NNC(=O)C1(Cc2ccccc2C1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H23N3O6/c1-13-5-4-8-14(9-13)19(28)25-26-22(31)23(11-15-6-2-3-7-16(15)12-23)21(30)24-17-10-18(27)32-20(17)29/h2-9,17,20,29H,10-12H2,1H3,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this Ligand-Target Pair | |