Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50009781   

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))	BDBM50087679 (2-[1-Hydroxy-3-((E)-3-hydroxy-7-phenyl-hept-1-enyl...) Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccccc1 Show InChI InChI=1S/C23H35NO3/c1-24(2)22(26)18-23(27)16-8-12-20(17-23)14-15-21(25)13-7-6-11-19-9-4-3-5-10-19/h3-5,9-10,14-15,20-21,25,27H,6-8,11-13,16-18H2,1-2H3/b15-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50087682 (CHEMBL354872 | Sodium; [1-hydroxy-3-((E)-3-hydroxy...) Show SMILES OC(CCCCc1ccccc1)\C=C\C1CCCC(O)(CC(O)=O)C1 Show InChI InChI=1S/C21H30O4/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24/h1-3,7-8,12-13,18-19,22,25H,4-6,9-11,14-16H2,(H,23,24)/b13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50087680 (2-{3-[(E)-7-(4-Azido-phenyl)-3-hydroxy-hept-1-enyl...) Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C23H34N4O3/c1-27(2)22(29)17-23(30)15-5-7-19(16-23)11-14-21(28)8-4-3-6-18-9-12-20(13-10-18)25-26-24/h9-14,19,21,28,30H,3-8,15-17H2,1-2H3/b14-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50087680 (2-{3-[(E)-7-(4-Azido-phenyl)-3-hydroxy-hept-1-enyl...) Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C23H34N4O3/c1-27(2)22(29)17-23(30)15-5-7-19(16-23)11-14-21(28)8-4-3-6-18-9-12-20(13-10-18)25-26-24/h9-14,19,21,28,30H,3-8,15-17H2,1-2H3/b14-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50087681 (CHEMBL164721 | Sodium; {3-[(E)-7-(4-azido-phenyl)-...) Show SMILES OC(CCCCc1ccc(cc1)N=[N+]=[N-])\C=C\C1CCCC(O)(CC(O)=O)C1 Show InChI InChI=1S/C21H29N3O4/c22-24-23-18-10-7-16(8-11-18)4-1-2-6-19(25)12-9-17-5-3-13-21(28,14-17)15-20(26)27/h7-12,17,19,25,28H,1-6,13-15H2,(H,26,27)/b12-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50087677 (2-{3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept...) Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(N=[N+]=[N-])c(I)c1 Show InChI InChI=1S/C23H33IN4O3/c1-28(2)22(30)16-23(31)13-5-7-18(15-23)9-11-19(29)8-4-3-6-17-10-12-21(26-27-25)20(24)14-17/h9-12,14,18-19,29,31H,3-8,13,15-16H2,1-2H3/b11-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50087677 (2-{3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept...) Show SMILES CN(C)C(=O)CC1(O)CCCC(C1)\C=C\C(O)CCCCc1ccc(N=[N+]=[N-])c(I)c1 Show InChI InChI=1S/C23H33IN4O3/c1-28(2)22(30)16-23(31)13-5-7-18(15-23)9-11-19(29)8-4-3-6-17-10-12-21(26-27-25)20(24)14-17/h9-12,14,18-19,29,31H,3-8,13,15-16H2,1-2H3/b11-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50087678 (CHEMBL168507 | Sodium; {3-[(E)-7-(4-azido-3-iodo-p...) Show SMILES OC(CCCCc1ccc(N=[N+]=[N-])c(I)c1)\C=C\C1CCCC(O)(CC(O)=O)C1 Show InChI InChI=1S/C21H28IN3O4/c22-18-12-15(8-10-19(18)24-25-23)4-1-2-6-17(26)9-7-16-5-3-11-21(29,13-16)14-20(27)28/h7-10,12,16-17,26,29H,1-6,11,13-14H2,(H,27,28)/b9-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UPRESA-CNRS 5074 Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [3H]-LTB4 to Leukotriene B4 receptor in human neutrophil membranes				Bioorg Med Chem Lett 10: 811-4 (2000) BindingDB Entry DOI: 10.7270/Q2W37VHF
					More data for this Ligand-Target Pair