BDBM50324956 (R)-2-((S)-2-isopropyl-4-(2-(5-methyl-1H-benzo[d]imidazol-1-yl)ethylamino)-4-oxobutanamido)-3-oxopropanoic acid::CHEMBL1221647
SMILES: CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=MDMJEFMEHWNFDO-HOTGVXAUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50324956 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)) | BDBM50324956
((R)-2-((S)-2-isopropyl-4-(2-(5-methyl-1H-benzo[d]i...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(11-26)9-20(28)29)10-19(27)22-6-7-25-12-23-17-8-14(3)4-5-18(17)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/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
| 4.85 | 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)) | BDBM50324956
((R)-2-((S)-2-isopropyl-4-(2-(5-methyl-1H-benzo[d]i...)Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(11-26)9-20(28)29)10-19(27)22-6-7-25-12-23-17-8-14(3)4-5-18(17)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/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 | 15.3 | 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 | |