BDBM50042185 4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-imidazol-2-ylamine::CHEMBL111825::leucettamine A

SMILES: Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1

InChI Key: InChIKey=CHUHMZZQHYOKBF-UHFFFAOYSA-N

Data: 2 KI  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 5 hits for monomerid = 50042185   

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
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042185 (4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-im...) Show SMILES Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LTB4 from LTB4 receptor expressed in human U937 cell membrane				J Nat Prod 56: 116-121 (1993) Article DOI: 10.1021/np50091a016 BindingDB Entry DOI: 10.7270/Q20K28K5
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042185 (4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-im...) Show SMILES Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smithkline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]-LTB4				J Med Chem 36: 3333-40 (1993) BindingDB Entry DOI: 10.7270/Q2BG2N1M
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042185 (4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-im...) Show SMILES Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LTB4 from LTB4 receptor expressed in human U937 cell membrane				J Nat Prod 56: 116-121 (1993) Article DOI: 10.1021/np50091a016 BindingDB Entry DOI: 10.7270/Q20K28K5
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042185 (4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-im...) Show SMILES Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LTB4 receptor in fura-2 loaded human U937 cells assessed as inhibition of LTB4-induced calcium mobilization				J Nat Prod 56: 116-121 (1993) Article DOI: 10.1021/np50091a016 BindingDB Entry DOI: 10.7270/Q20K28K5
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042185 (4,5-Bis-benzo[1,3]dioxol-5-ylmethyl-1-methyl-1H-im...) Show SMILES Cn1c(N)nc(Cc2ccc3OCOc3c2)c1Cc1ccc2OCOc2c1 Show InChI InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to LTB4 receptor in human U937 cells by whole cell assay				J Nat Prod 56: 116-121 (1993) Article DOI: 10.1021/np50091a016 BindingDB Entry DOI: 10.7270/Q20K28K5
					More data for this Ligand-Target Pair