Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50029293   

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
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029464 (5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50283055 (5-{3-(2-Carboxy-ethyl)-4-[3-(5-ethyl-4'-fluoro-2-h...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc(cc1CCC(O)=O)C#CCCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C31H31FO7/c1-2-22-19-26(23-9-12-25(32)13-10-23)27(33)20-29(22)39-17-5-16-38-28-14-8-21(6-3-4-7-30(34)35)18-24(28)11-15-31(36)37/h8-10,12-14,18-20,33H,2,4-5,7,11,15-17H2,1H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50283055 (5-{3-(2-Carboxy-ethyl)-4-[3-(5-ethyl-4'-fluoro-2-h...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc(cc1CCC(O)=O)C#CCCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C31H31FO7/c1-2-22-19-26(23-9-12-25(32)13-10-23)27(33)20-29(22)39-17-5-16-38-28-14-8-21(6-3-4-7-30(34)35)18-24(28)11-15-31(36)37/h8-10,12-14,18-20,33H,2,4-5,7,11,15-17H2,1H3,(H,34,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50013889 ((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...) Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50283054 (4-{2-(2-Carboxy-ethyl)-3-[3-(5-ethyl-4'-fluoro-2-h...) Show SMILES CCc1cc(c(O)cc1OCCCOc1cccc(Oc2ccc(cc2)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C33H31FO8/c1-2-21-19-27(22-7-11-24(34)12-8-22)28(35)20-31(21)41-18-4-17-40-29-5-3-6-30(26(29)15-16-32(36)37)42-25-13-9-23(10-14-25)33(38)39/h3,5-14,19-20,35H,2,4,15-18H2,1H3,(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029464 (5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50283054 (4-{2-(2-Carboxy-ethyl)-3-[3-(5-ethyl-4'-fluoro-2-h...) Show SMILES CCc1cc(c(O)cc1OCCCOc1cccc(Oc2ccc(cc2)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C33H31FO8/c1-2-21-19-27(22-7-11-24(34)12-8-22)28(35)20-31(21)41-18-4-17-40-29-5-3-6-30(26(29)15-16-32(36)37)42-25-13-9-23(10-14-25)33(38)39/h3,5-14,19-20,35H,2,4,15-18H2,1H3,(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50013889 ((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...) Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50283056 (4-{4-(2-Carboxy-ethyl)-3-[3-(5-ethyl-4'-fluoro-2-h...) Show SMILES CCc1cc(c(O)cc1OCCCOc1cc(Oc2ccc(cc2)C(O)=O)ccc1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C33H31FO8/c1-2-21-18-28(22-4-10-25(34)11-5-22)29(35)20-31(21)41-17-3-16-40-30-19-27(14-6-23(30)9-15-32(36)37)42-26-12-7-24(8-13-26)33(38)39/h4-8,10-14,18-20,35H,2-3,9,15-17H2,1H3,(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in guinea pig lung membranes				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50283056 (4-{4-(2-Carboxy-ethyl)-3-[3-(5-ethyl-4'-fluoro-2-h...) Show SMILES CCc1cc(c(O)cc1OCCCOc1cc(Oc2ccc(cc2)C(O)=O)ccc1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C33H31FO8/c1-2-21-18-28(22-4-10-25(34)11-5-22)29(35)20-31(21)41-17-3-16-40-30-19-27(14-6-23(30)9-15-32(36)37)42-26-12-7-24(8-13-26)33(38)39/h4-8,10-14,18-20,35H,2-3,9,15-17H2,1H3,(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]-LTB4 in human neutrophil				Bioorg Med Chem Lett 4: 2077-2082 (1994) Article DOI: 10.1016/S0960-894X(01)80105-0 BindingDB Entry DOI: 10.7270/Q27D2V2X
					More data for this Ligand-Target Pair