BDBM50287323 3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-1,1-dimethyl-ethyl}-1-hydroxy-1-methyl-urea::CHEMBL290170

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

InChI Key: InChIKey=JLKPDXDVZIAJLR-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 = 50287323   

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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50287323 (3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-11-14-23-22(15-20)25(35-27(3,4)5)24(16-28(6,7)30-26(33)31(8)34)32(23)17-19-9-12-21(29)13-10-19/h9-15,18,34H,16-17H2,1-8H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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
5-Lipoxygenase/5-lipoxygenase activating protein (Homo sapiens (Human))	BDBM50287323 (3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-11-14-23-22(15-20)25(35-27(3,4)5)24(16-28(6,7)30-26(33)31(8)34)32(23)17-19-9-12-21(29)13-10-19/h9-15,18,34H,16-17H2,1-8H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	1.30E+3	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))	BDBM50287323 (3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-11-14-23-22(15-20)25(35-27(3,4)5)24(16-28(6,7)30-26(33)31(8)34)32(23)17-19-9-12-21(29)13-10-19/h9-15,18,34H,16-17H2,1-8H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	150	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