BDBM50274512 CHEMBL1818097::CHEMBL484213::[amino(dimethylamino)methylidene]azanium (5E)-2-[3-(furan-3-yl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]oct-5-en-1-yl sulfate

SMILES: C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O

InChI Key: InChIKey=GCCDIQCRJHCDFR-RVGQIHGBSA-M

Data: 3 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 3 hits for monomerid = 50274512   

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
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50274512 (CHEMBL1818097 | CHEMBL484213 | [amino(dimethylamin...) Show SMILES C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O |r,t:4| Show InChI InChI=1S/C25H40O5S/c1-20(14-16-25(4)21(2)9-6-10-22(25)3)8-5-11-23(19-30-31(26,27)28)12-7-13-24-15-17-29-18-24/h8-9,15,17-18,22-23H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28)/p-1/b20-8+/t22-,23?,25-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant Staphylococcus aureus ATCC 6538p sortase lacking the N-terminal membrane anchor domain expressed in Escherichia coli cells ...				J Nat Prod 74: 1805-11 (2011) Article DOI: 10.1021/np200492k BindingDB Entry DOI: 10.7270/Q2C53M7G
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274512 (CHEMBL1818097 | CHEMBL484213 | [amino(dimethylamin...) Show SMILES C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O |r,t:4| Show InChI InChI=1S/C25H40O5S/c1-20(14-16-25(4)21(2)9-6-10-22(25)3)8-5-11-23(19-30-31(26,27)28)12-7-13-24-15-17-29-18-24/h8-9,15,17-18,22-23H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28)/p-1/b20-8+/t22-,23?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274512 (CHEMBL1818097 | CHEMBL484213 | [amino(dimethylamin...) Show SMILES C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O |r,t:4| Show InChI InChI=1S/C25H40O5S/c1-20(14-16-25(4)21(2)9-6-10-22(25)3)8-5-11-23(19-30-31(26,27)28)12-7-13-24-15-17-29-18-24/h8-9,15,17-18,22-23H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28)/p-1/b20-8+/t22-,23?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				J Nat Prod 74: 1805-11 (2011) Article DOI: 10.1021/np200492k BindingDB Entry DOI: 10.7270/Q2C53M7G
					More data for this Ligand-Target Pair