Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Leukotriene D4 Beta'   

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 2 (GUINEA PIG)	BDBM50292408 ((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...) Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 258: 531-6 (1991) BindingDB Entry DOI: 10.7270/Q2BK19TF
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50009075 (CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...) Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	6.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 258: 531-6 (1991) BindingDB Entry DOI: 10.7270/Q2BK19TF
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50297387 ((5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5-hydroxyic...) Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 258: 531-6 (1991) BindingDB Entry DOI: 10.7270/Q2BK19TF
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM81801 (CAS_5283121 | LTC4 | NSC_5283121) Show SMILES CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O |w:5.4,8.7,10.9,12.11| Show InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 258: 531-6 (1991) BindingDB Entry DOI: 10.7270/Q2BK19TF
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50104921 (CHEMBL3597634) Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50104918 (CHEMBL3597631) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C35H33F4NO5/c1-22-26(9-5-11-31(41)42)27-10-4-7-24(35(27)40(22)19-6-12-32(43)44)16-13-23-14-17-25(18-15-23)45-20-3-2-8-28-29(36)21-30(37)34(39)33(28)38/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-12,19-20H2,1H3,(H,41,42)(H,43,44)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50104919 (CHEMBL3597632) Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C35H32F5NO5/c1-21-25(7-4-8-30(42)43)32-27(36)17-14-23(35(32)41(21)18-5-9-31(44)45)13-10-22-11-15-24(16-12-22)46-19-3-2-6-26-28(37)20-29(38)34(40)33(26)39/h11-12,14-17,20H,2-9,18-19H2,1H3,(H,42,43)(H,44,45)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50104920 (CHEMBL3597633) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C36H38FNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50104911 (CHEMBL3597624) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C36H38ClNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50104915 (CHEMBL3597628) Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C36H37ClFNO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair