BDBM50037385 3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)-hexyloxy]-pyridin-2-ylmethylsulfanylmethyl}-benzoic acid::3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-ylmethylsulfanylmethyl}-benzoic acid::3-{6-(2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-ylmethylsulfanylmethyl}-benzoic acid (SB201993)::CHEMBL422598::SB-201993

SMILES: COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1

InChI Key: InChIKey=QQUXZUFSDIOIFJ-HTXNQAPBSA-N

Data: 4 KI  1 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 = 50037385   

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))	BDBM50037385 (3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]-LTB4 binding to human neutrophils				J Med Chem 39: 3837-41 (1996) Article DOI: 10.1021/jm960248s BindingDB Entry DOI: 10.7270/Q2VX0FKP
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037385 (3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	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 at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.				J Med Chem 37: 3327-36 (1994) BindingDB Entry DOI: 10.7270/Q2HT2NC3
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037385 (3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	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 LTB4 receptors in human PMNs				J Med Chem 36: 2703-5 (1993) BindingDB Entry DOI: 10.7270/Q2HQ3XZC
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037385 (3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested for binding affinity against Leukotriene B4 receptor				J Med Chem 39: 2629-54 (1996) Article DOI: 10.1021/jm960088k BindingDB Entry DOI: 10.7270/Q21J9BFT
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50037385 (3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against LTB4 receptors in human PMNs				J Med Chem 36: 2703-5 (1993) BindingDB Entry DOI: 10.7270/Q2HQ3XZC
					More data for this Ligand-Target Pair