Compile Data Set for Download or QSAR

Found 735 hits with Last Name = 'rong' and Initial = 'h'   

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
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	670	-35.8	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A] (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	690	-35.8	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A] (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	-35.7	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	-34.6	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A] (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.24E+3	-34.3	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM22231 ((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.26E+3	-34.2	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50269531 ((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...) Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.36E+3	-34.0	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A] (Homo sapiens (Human))	BDBM50269531 ((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...) Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.64E+3	-33.6	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A] (Homo sapiens (Human))	BDBM50269531 ((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...) Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.78E+3	-33.4	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A] (Homo sapiens (Human))	BDBM22231 ((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.17E+3	-32.9	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.59E+3	-32.4	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A] (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	3.06E+3	-32.0	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [M35A,L60A] (Homo sapiens (Human))	BDBM22231 ((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.47E+3	-31.7	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein 5 [M35A,L60A] (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.01E+3	-30.8	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 [K24A,R33A,K34A] (Homo sapiens (Human))	BDBM22319 ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.37E+3	-29.2	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232526 (5-((2,4-difluorophenoxy)methyl)quinazoline-2,4-dia...) Show SMILES Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1 Show InChI InChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232534 (5-((2-fluorophenoxy)methyl)quinazoline-2,4-diamine...) Show SMILES Nc1nc(N)c2c(COc3ccccc3F)cccc2n1 Show InChI InChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237216 (CHEMBL4080254) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4)CC3)cccc2n1 Show InChI InChI=1S/C21H25N5O/c22-20-19-17(24-21(23)25-20)7-4-8-18(19)27-14-16-9-11-26(12-10-16)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H4,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232538 (5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1 Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair				3D Structure (crystal)
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237201 (CHEMBL4082618) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23ClFN5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232589 (5-((3-chlorophenoxy)methyl)quinazoline-2,4-diamine...) Show SMILES Nc1nc(N)c2c(COc3cccc(Cl)c3)cccc2n1 Show InChI InChI=1S/C15H13ClN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237200 (CHEMBL4072132) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM36530 (D157493) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards 5-HT3 receptor in rat was evaluated				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair				3D Structure (crystal)
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237199 (CHEMBL4077061) Show SMILES Nc1nc(N)c2c(COc3cc(F)cc(c3)C#N)cccc2n1 Show InChI InChI=1S/C16H12FN5O/c17-11-4-9(7-18)5-12(6-11)23-8-10-2-1-3-13-14(10)15(19)22-16(20)21-13/h1-6H,8H2,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237203 (CHEMBL250072) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H24ClN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237205 (CHEMBL398675) Show SMILES Nc1nc(N)c2c(OCc3cc(F)cc(F)c3)cccc2n1 Show InChI InChI=1S/C15H12F2N4O/c16-9-4-8(5-10(17)6-9)7-22-12-3-1-2-11-13(12)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237209 (CHEMBL4062544) Show SMILES Nc1nc(N)c2c(COc3cccc(F)c3)cccc2n1 Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237211 (CHEMBL4061457) Show SMILES Cc1ncccc1OCc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H15N5O/c1-9-12(6-3-7-18-9)21-8-10-4-2-5-11-13(10)14(16)20-15(17)19-11/h2-7H,8H2,1H3,(H4,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237210 (CHEMBL399673) Show SMILES Nc1nc(N)c2c(COc3ccccc3Cl)cccc2n1 Show InChI InChI=1S/C15H13ClN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359073 (CHEMBL1922653) Show SMILES COc1cccc(n1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C37H41N3O4S/c1-24-11-16-27(38-21-24)23-44-28-17-18-31-29(19-28)34(45-36(2,3)4)32(20-37(5,6)35(41)42)40(31)22-25-12-14-26(15-13-25)30-9-8-10-33(39-30)43-7/h8-19,21H,20,22-23H2,1-7H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50205166 (CHEMBL231636 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cncc(c1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-23-13-21(15-33-16-23)27(29,30)31)24(12-18-7-9-22(28)10-8-18)20-6-4-5-19(11-20)14-32/h4-11,13,15-17,24H,12H2,1-3H3,(H,34,35)/t17-,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2184-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.087 BindingDB Entry DOI: 10.7270/Q2HM584G
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM36534 (D156095) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-5-4-14(10-16(15)23)11-28-8-6-13(7-9-28)12-29-18-3-1-2-17-19(18)20(24)27-21(25)26-17/h1-5,10,13H,6-9,11-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359083 (CHEMBL1922663) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(F)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-13-27(38-19-23)22-43-28-14-16-31-29(17-28)33(44-35(2,3)4)32(18-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)30-15-12-26(37)20-39-30/h7-17,19-20H,18,21-22H2,1-6H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359075 (CHEMBL1922655) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cc(ccn4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C37H38F3N3O3S/c1-23-7-12-27(42-20-23)22-46-28-13-14-31-29(18-28)33(47-35(2,3)4)32(19-36(5,6)34(44)45)43(31)21-24-8-10-25(11-9-24)30-17-26(15-16-41-30)37(38,39)40/h7-18,20H,19,21-22H2,1-6H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359076 (CHEMBL1922656) Show SMILES CCOc1nc(cs1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C36H41N3O4S2/c1-8-42-34-38-29(22-44-34)25-12-10-24(11-13-25)20-39-30-16-15-27(43-21-26-14-9-23(2)19-37-26)17-28(30)32(45-35(3,4)5)31(39)18-36(6,7)33(40)41/h9-17,19,22H,8,18,20-21H2,1-7H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359077 (CHEMBL1922657) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(nc4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C37H38F3N3O3S/c1-23-7-13-27(41-19-23)22-46-28-14-15-30-29(17-28)33(47-35(2,3)4)31(18-36(5,6)34(44)45)43(30)21-24-8-10-25(11-9-24)26-12-16-32(42-20-26)37(38,39)40/h7-17,19-20H,18,21-22H2,1-6H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015453 (CHEMBL3265037) Show SMILES COc1cc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)ccc1N1CCOCC1 Show InChI InChI=1S/C24H23N7O2/c1-32-22-13-18(4-5-21(22)30-8-10-33-11-9-30)27-23-24-25-6-7-31(24)15-20(28-23)16-2-3-17-14-26-29-19(17)12-16/h2-7,12-15H,8-11H2,1H3,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate				J Med Chem 57: 3856-73 (2014) Article DOI: 10.1021/jm500228a BindingDB Entry DOI: 10.7270/Q2B27WV1
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359082 (CHEMBL1922662) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(C)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C37H41N3O3S/c1-24-8-14-28(38-20-24)23-43-29-15-17-32-30(18-29)34(44-36(3,4)5)33(19-37(6,7)35(41)42)40(32)22-26-10-12-27(13-11-26)31-16-9-25(2)21-39-31/h8-18,20-21H,19,22-23H2,1-7H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50029559 (2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 52: 5803-15 (2009) Article DOI: 10.1021/jm900945d BindingDB Entry DOI: 10.7270/Q2G44QB1
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50297385 (3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...) Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359085 (CHEMBL1922665) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cccnc4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C36H39N3O3S/c1-24-9-14-28(38-20-24)23-42-29-15-16-31-30(18-29)33(43-35(2,3)4)32(19-36(5,6)34(40)41)39(31)22-25-10-12-26(13-11-25)27-8-7-17-37-21-27/h7-18,20-21H,19,22-23H2,1-6H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359062 (CHEMBL1922642) Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4cccc(C)n4)ccc23)cc1 Show InChI InChI=1S/C37H41N3O4S/c1-24-9-8-10-28(39-24)23-44-29-16-17-31-30(19-29)34(45-36(2,3)4)32(20-37(5,6)35(41)42)40(31)22-25-11-13-26(14-12-25)27-15-18-33(43-7)38-21-27/h8-19,21H,20,22-23H2,1-7H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359061 (CHEMBL1922532) Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C37H41N3O4S/c1-24-8-14-28(38-20-24)23-44-29-15-16-31-30(18-29)34(45-36(2,3)4)32(19-37(5,6)35(41)42)40(31)22-25-9-11-26(12-10-25)27-13-17-33(43-7)39-21-27/h8-18,20-21H,19,22-23H2,1-7H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50052018 (3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) Show SMILES CC(C)(C)Sc1c(CC(C)(C)C([O-])=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359078 (CHEMBL1922658) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(cn4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C37H38F3N3O3S/c1-23-7-13-27(41-19-23)22-46-28-14-16-31-29(17-28)33(47-35(2,3)4)32(18-36(5,6)34(44)45)43(31)21-24-8-10-25(11-9-24)30-15-12-26(20-42-30)37(38,39)40/h7-17,19-20H,18,21-22H2,1-6H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359079 (CHEMBL1922659) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cccc(n4)C(F)(F)F)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C37H38F3N3O3S/c1-23-10-15-26(41-20-23)22-46-27-16-17-30-28(18-27)33(47-35(2,3)4)31(19-36(5,6)34(44)45)43(30)21-24-11-13-25(14-12-24)29-8-7-9-32(42-29)37(38,39)40/h7-18,20H,19,21-22H2,1-6H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359081 (CHEMBL1922661) Show SMILES CCOc1cccc(n1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C38H43N3O4S/c1-8-44-34-11-9-10-31(40-34)27-15-13-26(14-16-27)23-41-32-19-18-29(45-24-28-17-12-25(2)22-39-28)20-30(32)35(46-37(3,4)5)33(41)21-38(6,7)36(42)43/h9-20,22H,8,21,23-24H2,1-7H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359065 (CHEMBL1922645) Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)c(C)n4)ccc23)cc1 Show InChI InChI=1S/C38H43N3O4S/c1-24-9-15-29(40-25(24)2)23-45-30-16-17-32-31(19-30)35(46-37(3,4)5)33(20-38(6,7)36(42)43)41(32)22-26-10-12-27(13-11-26)28-14-18-34(44-8)39-21-28/h9-19,21H,20,22-23H2,1-8H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359084 (CHEMBL1922664) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4cncc(F)c4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C36H38FN3O3S/c1-23-7-12-28(39-18-23)22-43-29-13-14-31-30(16-29)33(44-35(2,3)4)32(17-36(5,6)34(41)42)40(31)21-24-8-10-25(11-9-24)26-15-27(37)20-38-19-26/h7-16,18-20H,17,21-22H2,1-6H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50359086 (CHEMBL1922666) Show SMILES Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccccn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1 Show InChI InChI=1S/C36H39N3O3S/c1-24-10-15-27(38-21-24)23-42-28-16-17-31-29(19-28)33(43-35(2,3)4)32(20-36(5,6)34(40)41)39(31)22-25-11-13-26(14-12-25)30-9-7-8-18-37-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce...				J Med Chem 54: 8013-29 (2011) Article DOI: 10.1021/jm2008369 BindingDB Entry DOI: 10.7270/Q269740W
					More data for this Ligand-Target Pair

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