BDBM50080256 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-chloro-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL39617

SMILES: CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12

InChI Key: InChIKey=UTGBNEHVUCWWDU-UHFFFAOYSA-N

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 = 50080256   

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
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50080256 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-c...) Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C30H32Cl2N2O3S/c1-29(2,3)38-27-23-15-22(37-18-21-7-6-8-26(32)33-21)13-14-24(23)34(17-19-9-11-20(31)12-10-19)25(27)16-30(4,5)28(35)36/h6-15H,16-18H2,1-5H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase activating protein by using [125I]-L-691,831 as radioligand.				Bioorg Med Chem Lett 9: 2391-6 (1999) BindingDB Entry DOI: 10.7270/Q26T0KTJ
					More data for this Ligand-Target Pair
5-Lipoxygenase/5-lipoxygenase activating protein (Homo sapiens (Human))	BDBM50080256 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-c...) Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C30H32Cl2N2O3S/c1-29(2,3)38-27-23-15-22(37-18-21-7-6-8-26(32)33-21)13-14-24(23)34(17-19-9-11-20(31)12-10-19)25(27)16-30(4,5)28(35)36/h6-15H,16-18H2,1-5H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measured by enzyme immunoassay				Bioorg Med Chem Lett 6: 1547-1552 (1996) Article DOI: 10.1016/S0960-894X(96)00271-5 BindingDB Entry DOI: 10.7270/Q2DF6R6W
					More data for this Ligand-Target Pair
5-Lipoxygenase/5-lipoxygenase activating protein (Homo sapiens (Human))	BDBM50080256 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-c...) Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccc(Cl)n3)cc12 Show InChI InChI=1S/C30H32Cl2N2O3S/c1-29(2,3)38-27-23-15-22(37-18-21-7-6-8-26(32)33-21)13-14-24(23)34(17-19-9-11-20(31)12-10-19)25(27)16-30(4,5)28(35)36/h6-15H,16-18H2,1-5H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measured by enzyme immunoassay				Bioorg Med Chem Lett 6: 1547-1552 (1996) Article DOI: 10.1016/S0960-894X(96)00271-5 BindingDB Entry DOI: 10.7270/Q2DF6R6W
					More data for this Ligand-Target Pair