Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50028946   

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))	BDBM50280292 (7-[3-(2-Ethyl-5-hydroxy-4-methoxy-phenoxy)-propoxy...) Show SMILES CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C25H32O7/c1-4-7-18-20(10-8-17-9-11-21(25(27)28)32-24(17)18)30-12-6-13-31-22-15-19(26)23(29-3)14-16(22)5-2/h8,10,14-15,21,26H,4-7,9,11-13H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in guinea pig lung membrane binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50280291 (7-[3-(4-Ethoxy-2-ethyl-5-hydroxy-phenoxy)-propoxy]...) Show SMILES CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C26H34O7/c1-4-8-19-21(11-9-18-10-12-22(26(28)29)33-25(18)19)31-13-7-14-32-23-16-20(27)24(30-6-3)15-17(23)5-2/h9,11,15-16,22,27H,4-8,10,12-14H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in guinea pig lung membrane binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50036750 (2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...) Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in guinea pig lung membrane binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50280290 (4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...) Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1 Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in guinea pig lung membrane binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50280292 (7-[3-(2-Ethyl-5-hydroxy-4-methoxy-phenoxy)-propoxy...) Show SMILES CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C25H32O7/c1-4-7-18-20(10-8-17-9-11-21(25(27)28)32-24(17)18)30-12-6-13-31-22-15-19(26)23(29-3)14-16(22)5-2/h8,10,14-15,21,26H,4-7,9,11-13H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50280291 (7-[3-(4-Ethoxy-2-ethyl-5-hydroxy-phenoxy)-propoxy]...) Show SMILES CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C26H34O7/c1-4-8-19-21(11-9-18-10-12-22(26(28)29)33-25(18)19)31-13-7-14-32-23-16-20(27)24(30-6-3)15-17(23)5-2/h9,11,15-16,22,27H,4-8,10,12-14H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50036750 (2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...) Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50280290 (4-ethyl-2-methoxy-5-[6-methyl-6-(2H-1,2,3,4-tetraa...) Show SMILES CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1 Show InChI InChI=1S/C18H27N4O3/c1-5-13-11-16(24-4)14(23)12-15(13)25-10-8-6-7-9-18(2,3)17-19-21-22-20-17/h11-12H,5-10H2,1-4H3,(H-,19,20,21,22,23)/q-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1/2 (Homo sapiens (Human))	BDBM50280291 (7-[3-(4-Ethoxy-2-ethyl-5-hydroxy-phenoxy)-propoxy]...) Show SMILES CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2CCC(Oc12)C(O)=O Show InChI InChI=1S/C26H34O7/c1-4-8-19-21(11-9-18-10-12-22(26(28)29)33-25(18)19)31-13-7-14-32-23-16-20(27)24(30-6-3)15-17(23)5-2/h9,11,15-16,22,27H,4-8,10,12-14H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LTB4-induced CD11b/CD18 integrin up-regulation in human neutrophils				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1/2 (Homo sapiens (Human))	BDBM50036750 (2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...) Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LTB4-induced CD11b/CD18 integrin up-regulation in human neutrophils				Bioorg Med Chem Lett 2: 1675-1680 (1992) Article DOI: 10.1016/S0960-894X(00)80454-0 BindingDB Entry DOI: 10.7270/Q2JW8DT9
					More data for this Ligand-Target Pair