Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.5 BDBM50009071Purchase

Wt: 498.5 BDBM50017201Purchase

Wt: 498.5 BDBM50228306Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-LTD4 from LTD4 receptor in guinea pig lung membranes				J Med Chem 34: 1235-42 (1991) BindingDB Entry DOI: 10.7270/Q2K936HB
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung				J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against LTD4 (leukotriene).				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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50017201 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2O[C@@H](CCc2cc1C(C)=O)C(O)=O)C(C)=O Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Invitro activity of the compound to inhibit binding of [3H]- leukotriene D4 to receptor sites in guinea pig lung membrane				J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat				J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50228306 (CHEMBL55164) Show SMILES [H][C@@]1(CCc2cc(C(C)=O)c(OCCCCCOc3ccc(C(C)=O)c(O)c3CCC)cc2O1)C(O)=O Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description In vitro activity to inhibit binding of [3H]- leukotriene D4 to receptor sites in guinea pig lung membrane				J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (BOVINE)	BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of bovine heart Phosphodiesterase 1A				J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B
					More data for this Ligand-Target Pair