Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50034730   

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))	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 Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				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				3D Structure (crystal)
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50280884 (3-{3-[3-(4-acetyl-2-ethyl-5-olatophenoxy)propoxy]-...) Show SMILES CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C([O-])=O)c1CCC([O-])=O Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)/p-3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				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 1 (Homo sapiens (Human))	BDBM50280886 (3-[2-[3-(4-acetyl-2-ethyl-5-olatophenoxy)propoxy]-...) Show SMILES CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc(cc1CCC([O-])=O)C(=O)c1cccc(c1)C([O-])=O Show InChI InChI=1S/C30H30O9/c1-3-19-16-24(18(2)31)25(32)17-27(19)39-13-5-12-38-26-10-8-22(14-20(26)9-11-28(33)34)29(35)21-6-4-7-23(15-21)30(36)37/h4,6-8,10,14-17,32H,3,5,9,11-13H2,1-2H3,(H,33,34)(H,36,37)/p-3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				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 1 (Homo sapiens (Human))	BDBM50001611 ((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				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 1 (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 MCE 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 1 (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				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 1 (Homo sapiens (Human))	BDBM50280885 (CHEMBL58534 | disodium 6-[3-(4-acetyl-2-ethyl-5-ol...) Show SMILES CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc2c(c1)oc1ccc(cc1c2=O)C([O-])=O Show InChI InChI=1S/C27H24O8/c1-3-16-11-20(15(2)28)22(29)14-24(16)34-10-4-9-33-18-6-7-19-25(13-18)35-23-8-5-17(27(31)32)12-21(23)26(19)30/h5-8,11-14,29H,3-4,9-10H2,1-2H3,(H,31,32)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	751	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes				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 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	n/a	n/a	1.90	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				3D Structure (crystal)
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50280884 (3-{3-[3-(4-acetyl-2-ethyl-5-olatophenoxy)propoxy]-...) Show SMILES CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C([O-])=O)c1CCC([O-])=O Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)/p-3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	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 1 (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 MCE 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 1 (Homo sapiens (Human))	BDBM50001611 ((E)-3-{3-(2-Carboxy-ethyl)-4-[6-(4-methoxy-phenyl)...) Show SMILES COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	13	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 1 (Homo sapiens (Human))	BDBM50280886 (3-[2-[3-(4-acetyl-2-ethyl-5-olatophenoxy)propoxy]-...) Show SMILES CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc(cc1CCC([O-])=O)C(=O)c1cccc(c1)C([O-])=O Show InChI InChI=1S/C30H30O9/c1-3-19-16-24(18(2)31)25(32)17-27(19)39-13-5-12-38-26-10-8-22(14-20(26)9-11-28(33)34)29(35)21-6-4-7-23(15-21)30(36)37/h4,6-8,10,14-17,32H,3,5,9,11-13H2,1-2H3,(H,33,34)(H,36,37)/p-3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	46	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 1 (Homo sapiens (Human))	BDBM81519 (CAS_117690-79-6 | CGS 23356 | CHEMBL15766 | LY 255...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 Show InChI InChI=1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	85	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 1 (Homo sapiens (Human))	BDBM50280885 (CHEMBL58534 | disodium 6-[3-(4-acetyl-2-ethyl-5-ol...) Show SMILES CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc2c(c1)oc1ccc(cc1c2=O)C([O-])=O Show InChI InChI=1S/C27H24O8/c1-3-16-11-20(15(2)28)22(29)14-24(16)34-10-4-9-33-18-6-7-19-25(13-18)35-23-8-5-17(27(31)32)12-21(23)26(19)30/h5-8,11-14,29H,3-4,9-10H2,1-2H3,(H,31,32)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	190	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