Compile Data Set for Download or QSAR

Found 519 hits with Last Name = 'broddefalk' and Initial = 'j'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424479 (CHEMBL2316376) Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C28H30N6O3/c1-37-25-14-13-24(26(32-25)28(36)29-17-19-7-3-2-4-8-19)31-27(35)23-12-11-20(18-34-16-15-30-33-34)21-9-5-6-10-22(21)23/h5-6,9-16,19H,2-4,7-8,17-18H2,1H3,(H,29,36)(H,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424491 (CHEMBL2316377) Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCC1 Show InChI InChI=1S/C26H26N6O3/c1-35-23-12-11-22(24(30-23)26(34)27-15-17-5-4-6-17)29-25(33)21-10-9-18(16-32-14-13-28-31-32)19-7-2-3-8-20(19)21/h2-3,7-14,17H,4-6,15-16H2,1H3,(H,27,34)(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424478 (CHEMBL2316378) Show SMILES COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1 Show InChI InChI=1S/C27H28N6O4/c1-36-24-9-8-23(25(31-24)27(35)28-16-18-10-14-37-15-11-18)30-26(34)22-7-6-19(17-33-13-12-29-32-33)20-4-2-3-5-21(20)22/h2-9,12-13,18H,10-11,14-17H2,1H3,(H,28,35)(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323045 ((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...) Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)nn2CCNC(=O)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424490 (CHEMBL2316380) Show SMILES O=C(NCC1CCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12 Show InChI InChI=1S/C24H23N7O2/c32-23(29-22-21(25-10-11-26-22)24(33)27-14-16-4-3-5-16)20-9-8-17(15-31-13-12-28-30-31)18-6-1-2-7-19(18)20/h1-2,6-13,16H,3-5,14-15H2,(H,27,33)(H,26,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323046 ((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...) Show SMILES Cc1nn2CCNC(=O)c2c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424477 (CHEMBL2316379) Show SMILES O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12 Show InChI InChI=1S/C26H26N6O3/c33-25(22-8-7-19(17-32-13-12-29-31-32)20-4-1-2-5-21(20)22)30-23-6-3-11-27-24(23)26(34)28-16-18-9-14-35-15-10-18/h1-8,11-13,18H,9-10,14-17H2,(H,28,34)(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50524103 (CHEMBL4563459) Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r| Show InChI InChI=1S/C27H34N6O4/c1-16-14-21(31-30-16)17-10-12-18(13-11-17)24(34)19-8-6-7-9-20(19)25(35)29-22-15-28-33(5)23(22)26(36)32-37-27(2,3)4/h10-15,19-20H,6-9H2,1-5H3,(H,29,35)(H,30,31)(H,32,36)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation countin...				J Med Chem 62: 4312-4324 (2019) Article DOI: 10.1021/acs.jmedchem.8b02004 BindingDB Entry DOI: 10.7270/Q25T3PXZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424467 (CHEMBL2316397) Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50524102 (CHEMBL4542281) Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r| Show InChI InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation countin...				J Med Chem 62: 4312-4324 (2019) Article DOI: 10.1021/acs.jmedchem.8b02004 BindingDB Entry DOI: 10.7270/Q25T3PXZ
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323023 ((1R,2R)-2-[4-(3-Methyl-1H-pyrazol-5- yl)benzoyl]-N...) Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424472 (CHEMBL2316386) Show SMILES CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12 Show InChI InChI=1S/C28H33N3O6S/c1-38(35)18-20-9-10-23(22-8-3-2-7-21(20)22)27(33)30-24-11-12-25(37-16-15-36-14-13-32)31-26(24)28(34)29-17-19-5-4-6-19/h2-3,7-12,19,32H,4-6,13-18H2,1H3,(H,29,34)(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323041 ((1R,2R)-N-(4-Oxo-4,5,6,7- tetrahydropyrazolo[1,5-a...) Show SMILES O=C(Nc1cnn2CCNC(=O)c12)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1ccn[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323031 ((1R,2R)-N-[5-(Difluoromethyl)-1H- pyrazol-4-yl]-2-...) Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn[nH]c1C(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323056 ((1R,2R or 1S,2S)-2-[2-Fluoro-4-(3-methyl- 1H-pyraz...) Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cnn3CCNC(=O)c23)c(F)c1 |w:17.19,12.12| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424470 (CHEMBL2316391) Show SMILES O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H25N3O2/c28-23(20-13-6-11-18-10-4-5-12-19(18)20)27-21-14-7-15-25-22(21)24(29)26-16-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9,16H2,(H,26,29)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512929 (CHEMBL4457556) Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C(F)F |r| Show InChI InChI=1S/C23H25F2N5O2/c1-13-11-18(28-27-13)14-7-9-15(10-8-14)21(31)16-5-3-4-6-17(16)23(32)26-19-12-30(2)29-20(19)22(24)25/h7-12,16-17,22H,3-6H2,1-2H3,(H,26,32)(H,27,28)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323047 ((1R,2R)-N-[5-(Difluoromethyl)-1H- pyrazol-4-yl]-2-...) Show SMILES FC(F)c1[nH]ncc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50055366 ((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...) Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...				ACS Med Chem Lett 9: 594-599 (2018) Article DOI: 10.1021/acsmedchemlett.7b00505 BindingDB Entry DOI: 10.7270/Q2Z60RMJ
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512927 (CHEMBL4470157) Show SMILES [H][C@@]12C[C@]1([H])C[C@H]([C@@H](C2)C(=O)Nc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(cc1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C23H22F3N5O2/c1-31-11-19(21(30-31)23(24,25)26)28-22(33)17-10-15-8-14(15)9-16(17)20(32)13-4-2-12(3-5-13)18-6-7-27-29-18/h2-7,11,14-17H,8-10H2,1H3,(H,27,29)(H,28,33)/t14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512917 (CHEMBL4527700) Show SMILES [H][C@@]12C[C@]1([H])C[C@H]([C@@H](C2)C(=O)Nc1cnn(C)c1C(F)(F)F)C(=O)c1ccc(cc1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C23H22F3N5O2/c1-31-21(23(24,25)26)19(11-28-31)29-22(33)17-10-15-8-14(15)9-16(17)20(32)13-4-2-12(3-5-13)18-6-7-27-30-18/h2-7,11,14-17H,8-10H2,1H3,(H,27,30)(H,29,33)/t14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424476 (CHEMBL2316381) Show SMILES FC(F)(F)CCS(=O)(=O)Oc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1 Show InChI InChI=1S/C29H29F3N6O6S/c30-29(31,32)11-16-45(41,42)44-25-8-7-24(26(36-25)28(40)33-17-19-9-14-43-15-10-19)35-27(39)23-6-5-20(18-38-13-12-34-37-38)21-3-1-2-4-22(21)23/h1-8,12-13,19H,9-11,14-18H2,(H,33,40)(H,35,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458617 (CHEMBL4215835) Show SMILES CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(7-17(26)27)13-3-2-4-16(24-13)25-14-9-12(29-19(20,21)22)6-5-11(14)8-15(25)18(23)28/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458617 (CHEMBL4215835) Show SMILES CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(7-17(26)27)13-3-2-4-16(24-13)25-14-9-12(29-19(20,21)22)6-5-11(14)8-15(25)18(23)28/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424475 (CHEMBL2316382) Show SMILES COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1 Show InChI InChI=1S/C26H29N3O5S/c1-33-23-10-9-22(24(29-23)26(31)27-15-17-11-13-34-14-12-17)28-25(30)21-8-7-18(16-35(2)32)19-5-3-4-6-20(19)21/h3-10,17H,11-16H2,1-2H3,(H,27,31)(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458614 (CHEMBL4210991) Show SMILES C[C@@H](CC(O)=O)c1cccc(c1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O |r| Show InChI InChI=1S/C20H17F3N2O4/c1-11(7-18(26)27)12-3-2-4-14(8-12)25-16-10-15(29-20(21,22)23)6-5-13(16)9-17(25)19(24)28/h2-6,8-11H,7H2,1H3,(H2,24,28)(H,26,27)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512909 (CHEMBL4528662) Show SMILES COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)ncn1 |r| Show InChI InChI=1S/C22H23N5O3/c1-30-20-12-19(23-13-24-20)26-22(29)17-5-3-2-4-16(17)21(28)15-8-6-14(7-9-15)18-10-11-25-27-18/h6-13,16-17H,2-5H2,1H3,(H,25,27)(H,23,24,26,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512909 (CHEMBL4528662) Show SMILES COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)ncn1 |r| Show InChI InChI=1S/C22H23N5O3/c1-30-20-12-19(23-13-24-20)26-22(29)17-5-3-2-4-16(17)21(28)15-8-6-14(7-9-15)18-10-11-25-27-18/h6-13,16-17H,2-5H2,1H3,(H,25,27)(H,23,24,26,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FLAP in human whole blood assessed as reduction in calcium ionophore-stimulated LTB4 production preincubated for 30 mins followed by ca...				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512914 (CHEMBL4471402) Show SMILES CC(C)(O)CNC(=O)c1cnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)cn1 |r| Show InChI InChI=1S/C26H30N6O4/c1-26(2,36)15-29-25(35)21-13-28-22(14-27-21)31-24(34)19-6-4-3-5-18(19)23(33)17-9-7-16(8-10-17)20-11-12-30-32-20/h7-14,18-19,36H,3-6,15H2,1-2H3,(H,29,35)(H,30,32)(H,28,31,34)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50524107 (CHEMBL4568594) Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(O)=O |r| Show InChI InChI=1S/C23H25N5O4/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(29)16-5-3-4-6-17(16)22(30)25-19-12-24-28(2)20(19)23(31)32/h7-12,16-17H,3-6H2,1-2H3,(H,25,30)(H,26,27)(H,31,32)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation countin...				J Med Chem 62: 4312-4324 (2019) Article DOI: 10.1021/acs.jmedchem.8b02004 BindingDB Entry DOI: 10.7270/Q25T3PXZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50424464 (CHEMBL2316406) Show SMILES COCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12 Show InChI InChI=1S/C24H25N3O3/c1-30-15-17-11-12-20(19-9-3-2-8-18(17)19)23(28)27-21-10-5-13-25-22(21)24(29)26-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14-15H2,1H3,(H,26,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323033 ((1R,2R)-N-(5-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...) Show SMILES CN1CCn2ncc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)c3ccc(cc3)-c3cc[nH]n3)c2C1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512928 (CHEMBL4555790) Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C#N |r| Show InChI InChI=1S/C23H24N6O2/c1-14-11-19(27-26-14)15-7-9-16(10-8-15)22(30)17-5-3-4-6-18(17)23(31)25-21-13-29(2)28-20(21)12-24/h7-11,13,17-18H,3-6H2,1-2H3,(H,25,31)(H,26,27)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323055 (4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(3- methyl-1H-...) Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cn[nH]c2C(N)=O)c(F)c1 |w:17.19,12.12| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424489 (CHEMBL2316384) Show SMILES C[S@@](=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12 |r| Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)/t33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50424489 (CHEMBL2316384) Show SMILES C[S@@](=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12 |r| Show InChI InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)/t33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323032 ((1R,2R)-N-(5-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...) Show SMILES CN1CCn2ncc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)c3ccc(cc3)-c3cc(C)[nH]n3)c2C1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323020 ((1S,2S or 1R,2R)-N-(3-Cyano-1-methyl- 1H-pyrazol-4...) Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)C1CCCCC1C(=O)Nc1cn(C)nc1C#N |w:19.22,14.15| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323065 ((1R,2R and 1S,2S)-N-(3-Methyl-1,2- thiazol-5-yl)-2...) Show SMILES Cc1cc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2ccn[nH]2)sn1 |w:7.6,12.13| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50524105 (CHEMBL4524468) Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)[nH]nc1C(N)=O |r| Show InChI InChI=1S/C23H26N6O3/c1-12-11-18(28-26-12)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)25-19-13(2)27-29-20(19)22(24)31/h7-11,16-17H,3-6H2,1-2H3,(H2,24,31)(H,25,32)(H,26,28)(H,27,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation countin...				J Med Chem 62: 4312-4324 (2019) Article DOI: 10.1021/acs.jmedchem.8b02004 BindingDB Entry DOI: 10.7270/Q25T3PXZ
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323039 (5-Methyl-4-[({(1R,2R)-2-[4-(3-methyl-1H- pyrazol-5...) Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)[nH]nc1C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323042 ((1R,2R)-N-[1-Methyl-5- (melhyIsulfamoyl)-1H-pyrazo...) Show SMILES CNS(=O)(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc(C)n[nH]2)cnn1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512916 (CHEMBL4463314) Show SMILES Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-30-12-18(20(29-30)22(23,24)25)27-21(32)16-5-3-2-4-15(16)19(31)14-8-6-13(7-9-14)17-10-11-26-28-17/h6-12,15-16H,2-5H2,1H3,(H,26,28)(H,27,32)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50512927 (CHEMBL4470157) Show SMILES [H][C@@]12C[C@]1([H])C[C@H]([C@@H](C2)C(=O)Nc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(cc1)-c1cc[nH]n1 |r| Show InChI InChI=1S/C23H22F3N5O2/c1-31-11-19(21(30-31)23(24,25)26)28-22(33)17-10-15-8-14(15)9-16(17)20(32)13-4-2-12(3-5-13)18-6-7-27-29-18/h2-7,11,14-17H,8-10H2,1H3,(H,27,29)(H,28,33)/t14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FLAP in human whole blood assessed as reduction in calcium ionophore-stimulated LTB4 production preincubated for 30 mins followed by ca...				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012 BindingDB Entry DOI: 10.7270/Q2S75KP2
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50366784 (CHEMBL4171084) Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1 Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...				ACS Med Chem Lett 9: 594-599 (2018) Article DOI: 10.1021/acsmedchemlett.7b00505 BindingDB Entry DOI: 10.7270/Q2Z60RMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50366784 (CHEMBL4171084) Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1 Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50424467 (CHEMBL2316397) Show SMILES O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H21N3O2/c26-21(18-11-4-9-16-8-1-2-10-17(16)18)25-19-12-5-13-23-20(19)22(27)24-14-15-6-3-7-15/h1-2,4-5,8-13,15H,3,6-7,14H2,(H,24,27)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis				J Med Chem 56: 220-40 (2013) Article DOI: 10.1021/jm301511h BindingDB Entry DOI: 10.7270/Q2057H7B
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323054 (4-[({(1R,2R or 1S,2S)-2-[2-Fluoro-4-(3- methyl-1H-...) Show SMILES Cc1cc([nH]n1)-c1ccc(C(=O)C2CCCCC2C(=O)Nc2cnn(C)c2C(N)=O)c(F)c1 |w:17.19,12.12| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM323034 ((1R,2R or 1S,2S)-N-(5-Cyano-1-methyl- 1H-pyrazol-4...) Show SMILES Cn1ncc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2)-c2cc[nH]n2)c1C#N |w:8.7,13.14| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...				US Patent US10183947 (2019) BindingDB Entry DOI: 10.7270/Q22Z17M7
					More data for this Ligand-Target Pair

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