BDBM165195 (4S)‐4‐(pent‐4‐yn‐1‐yl)‐3‐(3,4,5‐trimethoxyphenyl)oxetan‐2‐one (45)

SMILES: COc1cc(cc(OC)c1OC)[C@H]1[C@H](CCCC#C)OC1=O

InChI Key: InChIKey=GLMCNOVMCJRNNZ-WFASDCNBSA-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 = 165195   

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
Rhomboid protease (HiGlpG) (Haemophilus influenzae (g-Proteobacteria))	BDBM165195 ((4S)‐4‐(pent‐4‐yn‐1&...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@H](CCCC#C)OC1=O |r| Show InChI InChI=1S/C17H20O5/c1-5-6-7-8-12-15(17(18)22-12)11-9-13(19-2)16(21-4)14(10-11)20-3/h1,9-10,12,15H,6-8H2,2-4H3/t12-,15-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair
Rhomboid protease (AfROM) (Archaeoglobus fulgidus (AfROM))	BDBM165195 ((4S)‐4‐(pent‐4‐yn‐1&...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@H](CCCC#C)OC1=O |r| Show InChI InChI=1S/C17H20O5/c1-5-6-7-8-12-15(17(18)22-12)11-9-13(19-2)16(21-4)14(10-11)20-3/h1,9-10,12,15H,6-8H2,2-4H3/t12-,15-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair