BDBM50324960 (R)-2-((S)-2-isopropyl-4-oxo-4-(2-(2,5,6-trimethyl-1H-benzo[d]imidazol-1-yl)ethylamino)butanamido)-3-oxopropanoic acid::CHEMBL1221691
SMILES: CC(C)[C@H](CC(=O)NCCn1c(C)nc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=BNIWJQPFFORGLN-ROUUACIJSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50324960 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)) | BDBM50324960
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(2,5,6-trimethyl...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(C)nc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H32N4O5/c1-13(2)18(23(32)26-17(12-28)10-22(30)31)11-21(29)24-6-7-27-16(5)25-19-8-14(3)15(4)9-20(19)27/h8-9,12-13,17-18H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,32)(H,30,31)/t17-,18-/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
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324960
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(2,5,6-trimethyl...)Show SMILES CC(C)[C@H](CC(=O)NCCn1c(C)nc2cc(C)c(C)cc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C23H32N4O5/c1-13(2)18(23(32)26-17(12-28)10-22(30)31)11-21(29)24-6-7-27-16(5)25-19-8-14(3)15(4)9-20(19)27/h8-9,12-13,17-18H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,32)(H,30,31)/t17-,18-/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 | 9.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |