Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50012375   

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
Platelet-activating factor receptor (Mus musculus)	BDBM50118202 (6-(4-azido-2,3,5,6-tetrafluorobenzyloxy)-8-(tert-b...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OCc3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)OC4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C27H25F4N3O10/c1-7-19(36)42-17-16(35)25-10-5-9(23(2,3)4)24(25)18(20(37)43-22(24)44-27(25,21(38)41-10)26(7,17)39)40-6-8-11(28)13(30)15(33-34-32)14(31)12(8)29/h7,9-10,16-18,22,35,39H,5-6H2,1-4H3/t7-,9+,10?,16+,17+,18+,22?,24?,25+,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118204 (6-(4-benzoylphenylcarbonyloxy)-8-(tert-butyl)-12,1...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OC(=O)c3ccc(cc3)C(=O)c3ccccc3)OC4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C34H32O12/c1-15-25(37)43-23-22(36)32-20-14-19(30(2,3)4)31(32)24(27(39)45-29(31)46-34(32,28(40)42-20)33(15,23)41)44-26(38)18-12-10-17(11-13-18)21(35)16-8-6-5-7-9-16/h5-13,15,19-20,22-24,29,36,41H,14H2,1-4H3/t15-,19+,20?,22+,23+,24+,29?,31?,32+,33-,34?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118194 (8-(tert-butyl)-12,17-dihydroxy-16-methyl-6-[4-(3-t...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OCc3ccc(cc3)C3(N=N3)C(F)(F)F)OC4(C(=O)O5)[C@@]12O |c:34| Show InChI InChI=1S/C29H29F3N2O10/c1-11-19(36)42-17-16(35)25-15-9-14(23(2,3)4)24(25)18(20(37)43-22(24)44-27(25,21(38)41-15)26(11,17)39)40-10-12-5-7-13(8-6-12)28(33-34-28)29(30,31)32/h5-8,11,14-18,22,35,39H,9-10H2,1-4H3/t11-,14+,15?,16+,17+,18+,22?,24?,25+,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118201 (6-(4-benzoylbenzyloxy)-8-(tert-butyl)-12,17-dihydr...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OCc3ccc(cc3)C(=O)c3ccccc3)OC4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C34H34O11/c1-16-26(37)43-24-23(36)32-21-14-20(30(2,3)4)31(32)25(27(38)44-29(31)45-34(32,28(39)42-21)33(16,24)40)41-15-17-10-12-19(13-11-17)22(35)18-8-6-5-7-9-18/h5-13,16,20-21,23-25,29,36,40H,14-15H2,1-4H3/t16-,20+,21?,23+,24+,25+,29?,31?,32+,33-,34?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118203 (8-(tert-butyl)-9,12,17-trihydroxy-16-methyl-6-[4-(...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(cc6)C6(N=N6)C(F)(F)F)C43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O |c:31| Show InChI InChI=1S/C29H29F3N2O11/c1-10-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(10,17)40)41-9-11-5-7-12(8-6-11)28(33-34-28)29(30,31)32/h5-8,10,13-18,22,35-36,40H,9H2,1-4H3/t10-,13-,14+,15+,16?,17+,18+,22?,24?,25-,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118195 (3'-(tert-butyl)-4,9',14'-trihydroxy-2-methoxy-10'-...) Show SMILES COC1OC(=O)[C@H](O)C11[C@@H](CC2OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]123)C(C)(C)C Show InChI InChI=1S/C21H28O10/c1-7-14(24)30-13-11(22)20-9(29-15(25)10(20)21(7,13)27)6-8(18(2,3)4)19(20)12(23)16(26)31-17(19)28-5/h7-13,17,22-23,27H,6H2,1-5H3/t7-,8+,9?,10?,11+,12+,13+,17?,19?,20+,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118196 (6-(4-benzoylbenzyloxy)-8-(tert-butyl)-9,12,17-trih...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(cc6)C(=O)c6ccccc6)C43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O Show InChI InChI=1S/C34H34O12/c1-15-26(38)43-24-22(37)32-23-20(36)21(30(2,3)4)31(32)25(27(39)45-29(31)46-34(32,28(40)44-23)33(15,24)41)42-14-16-10-12-18(13-11-16)19(35)17-8-6-5-7-9-17/h5-13,15,20-25,29,36-37,41H,14H2,1-4H3/t15-,20-,21+,22+,23?,24+,25+,29?,31?,32-,33-,34?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118200 (6-(4-azido-2,3,5,6-tetrafluorobenzyloxy)-8-(tert-b...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6c(F)c(F)c(N=[N+]=[N-])c(F)c6F)C43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O Show InChI InChI=1S/C27H25F4N3O11/c1-6-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(6,17)40)41-5-7-8(28)10(30)12(33-34-32)11(31)9(7)29/h6,13-18,22,35-36,40H,5H2,1-4H3/t6-,13-,14+,15+,16?,17+,18+,22?,24?,25-,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118205 (3'-(tert-butyl)-4,9'-dihydroxy-2-methoxy-10'-methy...) Show SMILES COC1OC(=O)[C@H](O)C11[C@@H](CC2OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4C[C@]123)C(C)(C)C Show InChI InChI=1S/C21H28O9/c1-8-14(23)29-11-7-19-10(28-15(24)12(19)21(8,11)26)6-9(18(2,3)4)20(19)13(22)16(25)30-17(20)27-5/h8-13,17,22,26H,6-7H2,1-5H3/t8-,9+,10?,11+,12?,13+,17?,19+,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118193 (3'-(tert-butyl)-4,4',9'-trihydroxy-2-methoxy-10'-m...) Show SMILES COC1OC(=O)[C@H](O)C11[C@@H]([C@@H](O)C2OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4C[C@]123)C(C)(C)C Show InChI InChI=1S/C21H28O10/c1-7-14(24)29-8-6-19-11(21(7,8)27)15(25)30-13(19)9(22)10(18(2,3)4)20(19)12(23)16(26)31-17(20)28-5/h7-13,17,22-23,27H,6H2,1-5H3/t7-,8+,9-,10+,11?,12+,13?,17?,19-,20?,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118197 (3'-(tert-butyl)-4,4',9',14'-tetrahydroxy-2-methoxy...) Show SMILES COC1OC(=O)[C@H](O)C11[C@@H]([C@@H](O)C2OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]123)C(C)(C)C Show InChI InChI=1S/C21H28O11/c1-6-14(25)31-13-10(23)19-9(21(6,13)28)15(26)30-12(19)7(22)8(18(2,3)4)20(19)11(24)16(27)32-17(20)29-5/h6-13,17,22-24,28H,1-5H3/t6-,7-,8+,9?,10+,11+,12?,13+,17?,19+,20?,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118198 (3'-(tert-butyl)-4,4',14'-trihydroxy-2-methoxy-10'-...) Show SMILES COC1OC(=O)[C@H](O)C11[C@@H]([C@@H](O)C2OC(=O)C3[C@H]4[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]123)C(C)(C)C Show InChI InChI=1S/C21H28O10/c1-6-7-8-16(26)30-14-9(22)11(19(2,3)4)21(13(24)17(27)31-18(21)28-5)20(8,14)12(23)10(7)29-15(6)25/h6-14,18,22-24H,1-5H3/t6-,7+,8?,9+,10+,11-,12-,13-,14?,18?,20-,21?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118199 (9-tert-Butyl-8,9-dihydroxy-dihydro-furo[2,3-b]furo...) Show SMILES CC(C)(C)[C@]1(O)CC2OC(=O)CC22C(=O)OC3OC(=O)[C@H](O)C123 Show InChI InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6?,8-,11?,13?,14+,15?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair