BDBM50045092 5-(2-Carboxy-ethyl)-6-[(E)-6-(4-methoxy-phenyl)-hex-5-enyloxy]-9-oxo-9H-xanthene-2-carboxylic acid::5-(2-Carboxy-ethyl)-6-[6-(4-methoxy-phenyl)-hex-5-enyloxy]-9-oxo-9H-xanthene-2-carboxylic acid::CHEMBL49210::LY-210073

SMILES: COc1ccc(\C=C\CCCCOc2ccc3c(oc4ccc(cc4c3=O)C(O)=O)c2CCC(O)=O)cc1

InChI Key: InChIKey=MTTBGOLFCYOWSV-GQCTYLIASA-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 = 50045092   

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 (Homo sapiens (Human))	BDBM50045092 (5-(2-Carboxy-ethyl)-6-[(E)-6-(4-methoxy-phenyl)-he...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc3c(oc4ccc(cc4c3=O)C(O)=O)c2CCC(O)=O)cc1 Show InChI InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition constant against binding of [3H]-LTB4 to human neutrophils				J Med Chem 36: 1726-34 (1993) BindingDB Entry DOI: 10.7270/Q2JQ1023
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50045092 (5-(2-Carboxy-ethyl)-6-[(E)-6-(4-methoxy-phenyl)-he...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc3c(oc4ccc(cc4c3=O)C(O)=O)c2CCC(O)=O)cc1 Show InChI InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils				Bioorg Med Chem Lett 3: 1981-1984 (1993) Article DOI: 10.1016/S0960-894X(01)80999-9 BindingDB Entry DOI: 10.7270/Q2VH5P9R
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50045092 (5-(2-Carboxy-ethyl)-6-[(E)-6-(4-methoxy-phenyl)-he...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc3c(oc4ccc(cc4c3=O)C(O)=O)c2CCC(O)=O)cc1 Show InChI InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description The antagonist activity measured as inhibition of LTB4 response in aggregation of neutrophils				J Med Chem 36: 1726-34 (1993) BindingDB Entry DOI: 10.7270/Q2JQ1023
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50045092 (5-(2-Carboxy-ethyl)-6-[(E)-6-(4-methoxy-phenyl)-he...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc3c(oc4ccc(cc4c3=O)C(O)=O)c2CCC(O)=O)cc1 Show InChI InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils				Bioorg Med Chem Lett 3: 1981-1984 (1993) Article DOI: 10.1016/S0960-894X(01)80999-9 BindingDB Entry DOI: 10.7270/Q2VH5P9R
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50045092 (5-(2-Carboxy-ethyl)-6-[(E)-6-(4-methoxy-phenyl)-he...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc3c(oc4ccc(cc4c3=O)C(O)=O)c2CCC(O)=O)cc1 Show InChI InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of specific binding of LTB4 ( 0.1 nM) to receptors on intact human neutrophils				J Med Chem 36: 1726-34 (1993) BindingDB Entry DOI: 10.7270/Q2JQ1023
					More data for this Ligand-Target Pair