Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Rhomboid protease (TmROM)'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Rhomboid domain-containing protein (Thermotoga maritima (Thermotogales))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.00E+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
Rhomboid domain-containing protein (Thermotoga maritima (Thermotogales))	BDBM165197 ((4S)‐3‐butyl‐4‐(pent‐...) Show SMILES CCCC[C@H]1[C@H](CCCC#C)OC1=O |r| Show InChI InChI=1S/C12H18O2/c1-3-5-7-9-11-10(8-6-4-2)12(13)14-11/h1,10-11H,4-9H2,2H3/t10-,11-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+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 domain-containing protein (Thermotoga maritima (Thermotogales))	BDBM165196 ((4S)‐4‐(pent‐4‐yn‐1&...) Show SMILES CCCCC[C@H]1[C@H](CCCC#C)OC1=O |r| Show InChI InChI=1S/C13H20O2/c1-3-5-7-9-11-12(15-13(11)14)10-8-6-4-2/h2,11-12H,3,5-10H2,1H3/t11-,12-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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 domain-containing protein (Thermotoga maritima (Thermotogales))	BDBM165194 (4‐Chloro‐7‐nitro‐3‐[...) Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(OCCCCCc3ccccc3)oc(=O)c2c1 Show InChI InChI=1S/C20H18ClNO5/c21-18-16-11-10-15(22(24)25)13-17(16)19(23)27-20(18)26-12-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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