BDBM50069602 CHEMBL440712::Thioacetic acid S-[(2S,3R)-3-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-hydroxycarbamoyl-5-methyl-hexyl] ester

SMILES: CC(C)C[C@H]([C@H](CSC(C)=O)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=YETFNSJPTTYKAT-IKGGRYGDSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50069602   

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
Immunoglobulin epsilon Fc receptor (Homo sapiens (Human))	BDBM50069602 (CHEMBL440712 | Thioacetic acid S-[(2S,3R)-3-((S)-1...) Show SMILES CC(C)C[C@H]([C@H](CSC(C)=O)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C20H29N3O5S/c1-12(2)9-15(16(20(27)23-28)11-29-13(3)24)19(26)22-17(18(21)25)10-14-7-5-4-6-8-14/h4-8,12,15-17,28H,9-11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)/t15-,16+,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 1000...				Bioorg Med Chem Lett 8: 29-34 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q3W
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50069602 (CHEMBL440712 | Thioacetic acid S-[(2S,3R)-3-((S)-1...) Show SMILES CC(C)C[C@H]([C@H](CSC(C)=O)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C20H29N3O5S/c1-12(2)9-15(16(20(27)23-28)11-29-13(3)24)19(26)22-17(18(21)25)10-14-7-5-4-6-8-14/h4-8,12,15-17,28H,9-11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)/t15-,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity of the compound towards human recombinant fibroblast collagenase				Bioorg Med Chem Lett 8: 29-34 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q3W
					More data for this Ligand-Target Pair