BDBM50287322 1-{3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propyl}-1-hydroxy-urea::CHEMBL39189

SMILES: CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CN(O)C(N)=O)c(SC(C)(C)C)c2c1

InChI Key: InChIKey=AIIZMHYSVIPRCK-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 = 50287322   

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/5-lipoxygenase activating protein (Homo sapiens (Human))	BDBM50287322 (1-{3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CN(O)C(N)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-10-13-23-22(14-20)25(35-27(3,4)5)24(15-28(6,7)17-32(34)26(30)33)31(23)16-19-8-11-21(29)12-9-19/h8-14,18,34H,15-17H2,1-7H3,(H2,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils				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))	BDBM50287322 (1-{3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CN(O)C(N)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-10-13-23-22(14-20)25(35-27(3,4)5)24(15-28(6,7)17-32(34)26(30)33)31(23)16-19-8-11-21(29)12-9-19/h8-14,18,34H,15-17H2,1-7H3,(H2,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils				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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50287322 (1-{3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)CN(O)C(N)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-10-13-23-22(14-20)25(35-27(3,4)5)24(15-28(6,7)17-32(34)26(30)33)31(23)16-19-8-11-21(29)12-9-19/h8-14,18,34H,15-17H2,1-7H3,(H2,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of 5-lipoxygenase activity in a broken cell supernatant rat basophilic leukemia cells				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