Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50038413   

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
RmtA (Emericella nidulans)	BDBM50376145 (CHEMBL410106) Show SMILES Oc1c(Br)cc(\C=C\C(=O)c2cccc(c2)C(=O)\C=C\c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C24H14Br4O4/c25-17-8-13(9-18(26)23(17)31)4-6-21(29)15-2-1-3-16(12-15)22(30)7-5-14-10-19(27)24(32)20(28)11-14/h1-12,31-32H/b6-4+,7-5+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376155 (CHEMBL265209) Show SMILES Oc1c(Br)cc(NC(=O)c2cccc(c2)C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C20H12Br4N2O4/c21-13-5-11(6-14(22)17(13)27)25-19(29)9-2-1-3-10(4-9)20(30)26-12-7-15(23)18(28)16(24)8-12/h1-8,27-28H,(H,25,29)(H,26,30)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376154 (CHEMBL260149) Show SMILES Oc1c(Br)cc(\C=C2/CCC\C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C20H14Br4O3/c21-14-6-10(7-15(22)19(14)26)4-12-2-1-3-13(18(12)25)5-11-8-16(23)20(27)17(24)9-11/h4-9,26-27H,1-3H2/b12-4+,13-5+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376168 (EOSIN) Show SMILES Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3ccccc23)c1Br Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376166 (CHEMBL259324) Show SMILES Oc1c(Br)cc(\C=C2/COC\C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C19H12Br4O4/c20-13-3-9(4-14(21)18(13)25)1-11-7-27-8-12(17(11)24)2-10-5-15(22)19(26)16(23)6-10/h1-6,25-26H,7-8H2/b11-1+,12-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376131 (CHEMBL430233) Show SMILES Oc1c(Br)cc(\C=C\C(=O)c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C15H8Br4O3/c16-9-3-7(4-10(17)14(9)21)1-2-13(20)8-5-11(18)15(22)12(19)6-8/h1-6,21-22H/b2-1+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376137 (CHEMBL260211) Show SMILES Oc1c(Br)cc(NC(=O)C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C14H8Br4N2O4/c15-7-1-5(2-8(16)11(7)21)19-13(23)14(24)20-6-3-9(17)12(22)10(18)4-6/h1-4,21-22H,(H,19,23)(H,20,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376147 (CHEMBL279164) Show SMILES Oc1c(Br)cc(\C=C2/Cc3ccccc3\C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C24H14Br4O3/c25-18-7-12(8-19(26)23(18)30)5-15-11-14-3-1-2-4-16(14)17(22(15)29)6-13-9-20(27)24(31)21(28)10-13/h1-10,30-31H,11H2/b15-5+,17-6+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376164 (CHEMBL265453) Show SMILES Oc1c(Br)cc(\C=C\C(=O)c2ccc(cc2)C(=O)\C=C\c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C24H14Br4O4/c25-17-9-13(10-18(26)23(17)31)1-7-21(29)15-3-5-16(6-4-15)22(30)8-2-14-11-19(27)24(32)20(28)12-14/h1-12,31-32H/b7-1+,8-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376167 (CHEMBL259457) Show SMILES CN1C\C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)\C(C1)=C\c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C20H15Br4NO3/c1-25-8-12(2-10-4-14(21)19(27)15(22)5-10)18(26)13(9-25)3-11-6-16(23)20(28)17(24)7-11/h2-7,27-28H,8-9H2,1H3/b12-2+,13-3+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376157 (CHEMBL260450) Show SMILES Oc1ccc(\C=C\C(=O)c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C15H9Br3O3/c16-10-5-8(2-4-14(10)20)1-3-13(19)9-6-11(17)15(21)12(18)7-9/h1-7,20-21H/b3-1+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376160 (CHEMBL440410) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C17H11Br3O3/c18-13-7-10(3-6-16(13)22)1-4-12(21)5-2-11-8-14(19)17(23)15(20)9-11/h1-9,22-23H/b4-1+,5-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376149 (CHEMBL428637) Show SMILES Oc1c(Br)cc(\C=C2/CSC\C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C19H12Br4O3S/c20-13-3-9(4-14(21)18(13)25)1-11-7-27-8-12(17(11)24)2-10-5-15(22)19(26)16(23)6-10/h1-6,25-26H,7-8H2/b11-1+,12-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376144 (CHEMBL262099) Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(cc2)C(=O)\C=C\c2ccc(O)c(Br)c2)cc1Br Show InChI InChI=1S/C24H16Br2O4/c25-19-13-15(3-11-23(19)29)1-9-21(27)17-5-7-18(8-6-17)22(28)10-2-16-4-12-24(30)20(26)14-16/h1-14,29-30H/b9-1+,10-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376142 (CHEMBL405170) Show SMILES Oc1c(Br)cc(C=CC(=O)CC(=O)C=Cc2cc(Br)c(O)c(Br)c2)cc1Br |w:6.5,13.12| Show InChI InChI=1S/C19H12Br4O4/c20-14-5-10(6-15(21)18(14)26)1-3-12(24)9-13(25)4-2-11-7-16(22)19(27)17(23)8-11/h1-8,26-27H,9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376158 (CHEMBL258624) Show SMILES OC(=O)c1cc(\C=C\C(=O)\C=C\c2ccc(O)c(c2)C(O)=O)ccc1O Show InChI InChI=1S/C19H14O7/c20-13(5-1-11-3-7-16(21)14(9-11)18(23)24)6-2-12-4-8-17(22)15(10-12)19(25)26/h1-10,21-22H,(H,23,24)(H,25,26)/b5-1+,6-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376146 (CHEMBL258902) Show SMILES Oc1ccc(\C=C\C(=O)c2cccc(c2)C(=O)\C=C\c2ccc(O)c(Br)c2)cc1Br Show InChI InChI=1S/C24H16Br2O4/c25-19-12-15(6-10-23(19)29)4-8-21(27)17-2-1-3-18(14-17)22(28)9-5-16-7-11-24(30)20(26)13-16/h1-14,29-30H/b8-4+,9-5+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376162 (CHEMBL265959) Show SMILES Oc1c(Br)cc(cc1Br)C(=O)Nc1cccc(NC(=O)c2cc(Br)c(O)c(Br)c2)c1 Show InChI InChI=1S/C20H12Br4N2O4/c21-13-4-9(5-14(22)17(13)27)19(29)25-11-2-1-3-12(8-11)26-20(30)10-6-15(23)18(28)16(24)7-10/h1-8,27-28H,(H,25,29)(H,26,30)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376135 (CHEMBL259008) Show SMILES Oc1c(Br)cc(\C=C\C(=O)\C=C\c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C17H10Br4O3/c18-12-5-9(6-13(19)16(12)23)1-3-11(22)4-2-10-7-14(20)17(24)15(21)8-10/h1-8,23-24H/b3-1+,4-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376140 (CHEMBL261190) Show SMILES Oc1c(Br)cc(cc1Br)C(=O)NCCCNC(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C17H14Br4N2O4/c18-10-4-8(5-11(19)14(10)24)16(26)22-2-1-3-23-17(27)9-6-12(20)15(25)13(21)7-9/h4-7,24-25H,1-3H2,(H,22,26)(H,23,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376165 (CHEMBL258904) Show SMILES CN1C2CCC1\C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)\C2=C\c1cc(Br)c(O)c(Br)c1 |w:2.2,5.4,TLB:0:1:4.3:6.17.19,7:6:1:4.3,THB:18:17:1:4.3,20:19:1:4.3| Show InChI InChI=1S/C22H17Br4NO3/c1-27-18-2-3-19(27)13(5-11-8-16(25)22(30)17(26)9-11)20(28)12(18)4-10-6-14(23)21(29)15(24)7-10/h4-9,18-19,29-30H,2-3H2,1H3/b12-4+,13-5+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376141 (CHEMBL261192) Show SMILES Oc1c(Br)cc(cc1Br)C(=O)NCCNC(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C16H12Br4N2O4/c17-9-3-7(4-10(18)13(9)23)15(25)21-1-2-22-16(26)8-5-11(19)14(24)12(20)6-8/h3-6,23-24H,1-2H2,(H,21,25)(H,22,26)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50207586 (2,6-bis(3-bromo-4-hydroxybenzylidene)cyclohexanone...) Show SMILES Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C20H16Br2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8+,15-9+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376148 (CHEMBL264668) Show SMILES Oc1ccc(\C=C2/Cc3ccccc3\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C24H16Br2O3/c25-20-11-14(5-7-22(20)27)9-17-13-16-3-1-2-4-18(16)19(24(17)29)10-15-6-8-23(28)21(26)12-15/h1-12,27-28H,13H2/b17-9+,19-10+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376136 (CHEMBL260212) Show SMILES Oc1c(Br)cc(NC(=O)CC(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C15H10Br4N2O4/c16-8-1-6(2-9(17)14(8)24)20-12(22)5-13(23)21-7-3-10(18)15(25)11(19)4-7/h1-4,24-25H,5H2,(H,20,22)(H,21,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376143 (CHEMBL259782) Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(Br)c2)cc1Br |w:5.4,12.11| Show InChI InChI=1S/C19H14Br2O4/c20-16-9-12(3-7-18(16)24)1-5-14(22)11-15(23)6-2-13-4-8-19(25)17(21)10-13/h1-10,24-25H,11H2	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376129 (CHEMBL264683) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2Br)c(Br)c1 Show InChI InChI=1S/C17H12Br2O3/c18-16-9-14(21)7-3-11(16)1-5-13(20)6-2-12-4-8-15(22)10-17(12)19/h1-10,21-22H/b5-1+,6-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376132 (CHEMBL260449) Show SMILES Oc1c(Br)cc(\C=C\C(=O)c2ccccc2)cc1Br Show InChI InChI=1S/C15H10Br2O2/c16-12-8-10(9-13(17)15(12)19)6-7-14(18)11-4-2-1-3-5-11/h1-9,19H/b7-6+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376138 (CHEMBL259612) Show SMILES Oc1c(Br)cc(cc1Br)C(=O)Nc1ccc(NC(=O)c2cc(Br)c(O)c(Br)c2)cc1 Show InChI InChI=1S/C20H12Br4N2O4/c21-13-5-9(6-14(22)17(13)27)19(29)25-11-1-2-12(4-3-11)26-20(30)10-7-15(23)18(28)16(24)8-10/h1-8,27-28H,(H,25,29)(H,26,30)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376152 (CHEMBL261767) Show SMILES CN1C\C(=C/c2ccc(O)c(Br)c2)C(=O)\C(C1)=C\c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C20H16Br3NO3/c1-24-9-13(4-11-2-3-18(25)15(21)6-11)19(26)14(10-24)5-12-7-16(22)20(27)17(23)8-12/h2-8,25,27H,9-10H2,1H3/b13-4+,14-5+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376150 (CHEMBL407234) Show SMILES Oc1ccc(\C=C2/COC\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C19H14Br2O4/c20-15-7-11(1-3-17(15)22)5-13-9-25-10-14(19(13)24)6-12-2-4-18(23)16(21)8-12/h1-8,22-23H,9-10H2/b13-5+,14-6+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376161 (CHEMBL259354) Show SMILES Oc1c(Br)cc(NC(=O)CCC(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C16H12Br4N2O4/c17-9-3-7(4-10(18)15(9)25)21-13(23)1-2-14(24)22-8-5-11(19)16(26)12(20)6-8/h3-6,25-26H,1-2H2,(H,21,23)(H,22,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376163 (CHEMBL259577) Show SMILES CC(C)(C(=O)\C=C\c1cc(Br)c(O)c(Br)c1)C(=O)\C=C\c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C21H16Br4O4/c1-21(2,17(26)5-3-11-7-13(22)19(28)14(23)8-11)18(27)6-4-12-9-15(24)20(29)16(25)10-12/h3-10,28-29H,1-2H3/b5-3+,6-4+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376153 (CHEMBL259459) Show SMILES CN1C\C(=C/c2ccc(O)c(Br)c2)C(=O)\C(C1)=C\c1ccc(O)c(Br)c1 Show InChI InChI=1S/C20H17Br2NO3/c1-23-10-14(6-12-2-4-18(24)16(21)8-12)20(26)15(11-23)7-13-3-5-19(25)17(22)9-13/h2-9,24-25H,10-11H2,1H3/b14-6+,15-7+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376130 (CHEMBL262611) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)c(Br)c2)cc1Br Show InChI InChI=1S/C17H12Br2O3/c18-14-9-11(3-7-16(14)21)1-5-13(20)6-2-12-4-8-17(22)15(19)10-12/h1-10,21-22H/b5-1+,6-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376127 (CHEMBL259803) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)c(F)c2)cc1F Show InChI InChI=1S/C17H12F2O3/c18-14-9-11(3-7-16(14)21)1-5-13(20)6-2-12-4-8-17(22)15(19)10-12/h1-10,21-22H/b5-1+,6-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376156 (CHEMBL406108) Show SMILES Oc1c(Br)cc(NC(=O)CCCC(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C17H14Br4N2O4/c18-10-4-8(5-11(19)16(10)26)22-14(24)2-1-3-15(25)23-9-6-12(20)17(27)13(21)7-9/h4-7,26-27H,1-3H2,(H,22,24)(H,23,25)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376133 (CHEMBL441734) Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1Br Show InChI InChI=1S/C15H11BrO2/c16-13-10-11(7-9-15(13)18)6-8-14(17)12-4-2-1-3-5-12/h1-10,18H/b8-6+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50237760 (1,5-bis(4-hydroxy-3,5-dimethylphenyl)penta-1,4-die...) Show SMILES Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O Show InChI InChI=1S/C21H22O3/c1-13-9-17(10-14(2)20(13)23)5-7-19(22)8-6-18-11-15(3)21(24)16(4)12-18/h5-12,23-24H,1-4H3/b7-5+,8-6+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376151 (CHEMBL261480) Show SMILES Oc1c(Br)cc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C26H19Br4NO3/c27-20-8-16(9-21(28)25(20)33)6-18-13-31(12-15-4-2-1-3-5-15)14-19(24(18)32)7-17-10-22(29)26(34)23(30)11-17/h1-11,33-34H,12-14H2/b18-6+,19-7+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376128 (CHEMBL261289) Show SMILES Oc1cc(Br)c(\C=C\C(=O)\C=C\c2c(Br)cc(O)cc2Br)c(Br)c1 Show InChI InChI=1S/C17H10Br4O3/c18-14-5-10(23)6-15(19)12(14)3-1-9(22)2-4-13-16(20)7-11(24)8-17(13)21/h1-8,23-24H/b3-1+,4-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376159 (CHEMBL259602) Show SMILES Oc1cc(Br)cc(Br)c1\C=C\C(=O)\C=C\c1c(O)cc(Br)cc1Br Show InChI InChI=1S/C17H10Br4O3/c18-9-5-14(20)12(16(23)7-9)3-1-11(22)2-4-13-15(21)6-10(19)8-17(13)24/h1-8,23-24H/b3-1+,4-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376134 (CHEMBL258625) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)c(c2)[N+]([O-])=O)cc1[N+]([O-])=O Show InChI InChI=1S/C17H12N2O7/c20-13(5-1-11-3-7-16(21)14(9-11)18(23)24)6-2-12-4-8-17(22)15(10-12)19(25)26/h1-10,21-22H/b5-1+,6-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50376139 (CHEMBL261191) Show SMILES Oc1c(Br)cc(cc1Br)C(=O)NCCCCNC(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C18H16Br4N2O4/c19-11-5-9(6-12(20)15(11)25)17(27)23-3-1-2-4-24-18(28)10-7-13(21)16(26)14(22)8-10/h5-8,25-26H,1-4H2,(H,23,27)(H,24,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
					More data for this Ligand-Target Pair