BDBM50186227 3-((8-(2-(2,3-dichloro-4-(1-hydroxy-2-methylenebutyl)phenoxy)acetamido)octanamido)methyl)-5-((9-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phenoxy)acetamido)nonanamido)methyl)benzamide::CHEMBL379437

SMILES: CCC(=C)C(O)c1ccc(OCC(=O)NCCCCCCCC(=O)NCc2cc(CNC(=O)CCCCCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl

InChI Key: InChIKey=UQYZKFCWWOEUOK-UHFFFAOYSA-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 = 50186227   

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
Glutathione transferase (GST) (Homo sapiens (Human))	BDBM50186227 (3-((8-(2-(2,3-dichloro-4-(1-hydroxy-2-methylenebut...) Show SMILES CCC(=C)C(O)c1ccc(OCC(=O)NCCCCCCCC(=O)NCc2cc(CNC(=O)CCCCCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C52H67Cl4N5O9/c1-5-33(3)50(66)38-20-22-40(48(55)46(38)53)69-31-44(64)58-24-16-12-8-7-10-14-18-42(62)60-29-35-26-36(28-37(27-35)52(57)68)30-61-43(63)19-15-11-9-13-17-25-59-45(65)32-70-41-23-21-39(47(54)49(41)56)51(67)34(4)6-2/h20-23,26-28,51,67H,3-19,24-25,29-32H2,1-2H3,(H2,57,68)(H,58,64)(H,59,65)(H,60,62)(H,61,63)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosytems Curated by ChEMBL					Assay Description Inhibition of GST P1-1				Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV
					More data for this Ligand-Target Pair
Glutathione S-transferase (GST) (Homo sapiens (Human))	BDBM50186227 (3-((8-(2-(2,3-dichloro-4-(1-hydroxy-2-methylenebut...) Show SMILES CCC(=C)C(O)c1ccc(OCC(=O)NCCCCCCCC(=O)NCc2cc(CNC(=O)CCCCCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C52H67Cl4N5O9/c1-5-33(3)50(66)38-20-22-40(48(55)46(38)53)69-31-44(64)58-24-16-12-8-7-10-14-18-42(62)60-29-35-26-36(28-37(27-35)52(57)68)30-61-43(63)19-15-11-9-13-17-25-59-45(65)32-70-41-23-21-39(47(54)49(41)56)51(67)34(4)6-2/h20-23,26-28,51,67H,3-19,24-25,29-32H2,1-2H3,(H2,57,68)(H,58,64)(H,59,65)(H,60,62)(H,61,63)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52.1	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosytems Curated by ChEMBL					Assay Description Inhibition of GST A1-1				Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV
					More data for this Ligand-Target Pair