Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50007374   

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 (Cavia porcellus)	BDBM50048485 ((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...) Show SMILES CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1 Show InChI InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50048485 ((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...) Show SMILES CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc23)cc1 Show InChI InChI=1S/C23H30N4O4S/c1-6-31-23(28)22(13-16(2)3)26(5)32(29,30)19-9-7-18(8-10-19)15-27-17(4)25-20-14-24-12-11-21(20)27/h7-12,14,16,22H,6,13,15H2,1-5H3/t22-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50062054 (4-Ethynyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]py...) Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C Show InChI InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50062086 (1-Acetoxymethyl-3-{(R)-7-[1-dimethylcarbamoyl-6-(4...) Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@H](SCc23)c2ccc[n+](COC(C)=O)c2)c2ccc(cc12)-c1ccc(F)cc1 Show InChI InChI=1S/C32H28FN4O4S/c1-20(38)41-19-35-13-4-5-23(16-35)31-36-14-12-26(29(36)18-42-31)30(39)27-17-37(32(40)34(2)3)28-15-22(8-11-25(27)28)21-6-9-24(33)10-7-21/h4-17,31H,18-19H2,1-3H3/q+1/t31-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50062086 (1-Acetoxymethyl-3-{(R)-7-[1-dimethylcarbamoyl-6-(4...) Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@H](SCc23)c2ccc[n+](COC(C)=O)c2)c2ccc(cc12)-c1ccc(F)cc1 Show InChI InChI=1S/C32H28FN4O4S/c1-20(38)41-19-35-13-4-5-23(16-35)31-36-14-12-26(29(36)18-42-31)30(39)27-17-37(32(40)34(2)3)28-15-22(8-11-25(27)28)21-6-9-24(33)10-7-21/h4-17,31H,18-19H2,1-3H3/q+1/t31-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
					More data for this Ligand-Target Pair