Compile Data Set for Download or QSAR

Found 515 hits with Last Name = 'huber' and Initial = 'jd'   

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
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50262004 (CHEMBL4088763) Show SMILES CN(C(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1)C(C)(C)C Show InChI InChI=1S/C26H30N8O2/c1-25(2,3)33(4)21(35)16-34-15-19(14-30-34)22-31-23(32-36-22)26(10-5-11-26)20-8-6-17(7-9-20)18-12-28-24(27)29-13-18/h6-9,12-15H,5,10-11,16H2,1-4H3,(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50262010 (CHEMBL4080876) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(CCC#N)c1 Show InChI InChI=1S/C22H20N8O/c23-9-2-10-30-14-17(13-27-30)19-28-20(29-31-19)22(7-1-8-22)18-5-3-15(4-6-18)16-11-25-21(24)26-12-16/h3-6,11-14H,1-2,7-8,10H2,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104552 (US8575201, 43) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C24H24N8O2/c25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32/h2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104623 (US8575201, 114) Show SMILES CC(C)Nc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C23H24N8O/c1-14(2)29-19-7-4-15(10-26-19)20-30-21(31-32-20)23(8-3-9-23)17-5-6-18(25-13-17)16-11-27-22(24)28-12-16/h4-7,10-14H,3,8-9H2,1-2H3,(H,26,29)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50261945 (CHEMBL4088331) Show SMILES C[C@](C1CC1)(c1noc(n1)-c1cnn(c1)C1COC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C22H22N8O2/c1-22(15-2-3-15,16-4-5-18(24-9-16)13-6-25-21(23)26-7-13)20-28-19(32-29-20)14-8-27-30(10-14)17-11-31-12-17/h4-10,15,17H,2-3,11-12H2,1H3,(H2,23,25,26)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104570 (US8575201, 61) Show SMILES CN1CCN(CC1)c1cnc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C24H26N10O/c1-33-7-9-34(10-8-33)20-15-27-19(14-28-20)21-31-22(32-35-21)24(5-2-6-24)17-3-4-18(26-13-17)16-11-29-23(25)30-12-16/h3-4,11-15H,2,5-10H2,1H3,(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104634 (US8575201, 125) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCNC(=O)C1 Show InChI InChI=1S/C24H23N9O2/c25-23-29-11-16(12-30-23)18-4-3-17(13-27-18)24(6-1-7-24)22-31-21(35-32-22)15-2-5-19(28-10-15)33-9-8-26-20(34)14-33/h2-5,10-13H,1,6-9,14H2,(H,26,34)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104527 (US8575201, 18) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NCC2(O)CC2)nc1 Show InChI InChI=1S/C24H24N8O2/c25-22-28-11-16(12-29-22)18-4-3-17(13-26-18)24(6-1-7-24)21-31-20(34-32-21)15-2-5-19(27-10-15)30-14-23(33)8-9-23/h2-5,10-13,33H,1,6-9,14H2,(H,27,30)(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50262000 (CHEMBL4071532) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cnn(c1)C1COC1 Show InChI InChI=1S/C22H21N7O2/c23-21-24-8-15(9-25-21)14-2-4-17(5-3-14)22(6-1-7-22)20-27-19(31-28-20)16-10-26-29(11-16)18-12-30-13-18/h2-5,8-11,18H,1,6-7,12-13H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104624 (US8575201, 115) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NCCO)nc1 Show InChI InChI=1S/C22H22N8O2/c23-21-27-11-15(12-28-21)17-4-3-16(13-25-17)22(6-1-7-22)20-29-19(32-30-20)14-2-5-18(26-10-14)24-8-9-31/h2-5,10-13,31H,1,6-9H2,(H,24,26)(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50078035 (CHEMBL3417429) Show SMILES Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H19N7O/c1-27-12-15(11-24-27)17-25-18(26-28-17)20(7-2-8-20)16-5-3-13(4-6-16)14-9-22-19(21)23-10-14/h3-6,9-12H,2,7-8H2,1H3,(H2,21,22,23)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104540 (US8575201, 31) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)-n1ccnc1 Show InChI InChI=1S/C23H19N9O/c24-22-28-11-16(12-29-22)18-4-3-17(13-26-18)23(6-1-7-23)21-30-20(33-31-21)15-2-5-19(27-10-15)32-9-8-25-14-32/h2-5,8-14H,1,6-7H2,(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104517 (US8575201, 8) Show SMILES CCNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H22N8O/c1-2-24-18-7-4-14(10-26-18)19-29-20(30-31-19)22(8-3-9-22)16-5-6-17(25-13-16)15-11-27-21(23)28-12-15/h4-7,10-13H,2-3,8-9H2,1H3,(H,24,26)(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104521 (US8575201, 12) Show SMILES CC(C)(O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C24H26N8O2/c1-23(2,33)14-30-19-7-4-15(10-27-19)20-31-21(32-34-20)24(8-3-9-24)17-5-6-18(26-13-17)16-11-28-22(25)29-12-16/h4-7,10-13,33H,3,8-9,14H2,1-2H3,(H,27,30)(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104542 (US8575201, 33) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NC(CO)CO)nc1 Show InChI InChI=1S/C23H24N8O3/c24-22-27-9-15(10-28-22)18-4-3-16(11-25-18)23(6-1-7-23)21-30-20(34-31-21)14-2-5-19(26-8-14)29-17(12-32)13-33/h2-5,8-11,17,32-33H,1,6-7,12-13H2,(H,26,29)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104557 (US8575201, 48) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C24H24N8O2/c25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32/h2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50261982 (CHEMBL4094923) Show SMILES Cc1cc([nH]n1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C20H19N7O/c1-12-9-16(26-25-12)17-24-18(27-28-17)20(7-2-8-20)15-5-3-13(4-6-15)14-10-22-19(21)23-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,25,26)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50078033 (CHEMBL3417431) Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104622 (US8575201, 113) Show SMILES CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C21H20N8O/c1-23-17-6-3-13(9-25-17)18-28-19(29-30-18)21(7-2-8-21)15-4-5-16(24-12-15)14-10-26-20(22)27-11-14/h3-6,9-12H,2,7-8H2,1H3,(H,23,25)(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50369571 (CHEMBL1790710) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C33H47N7O9/c1-18(2)13-24(31(47)39-26(17-41)29(35)45)38-32(48)25(15-20-7-5-4-6-8-20)37-27(44)16-36-33(49)28(19(3)42)40-30(46)23(34)14-21-9-11-22(43)12-10-21/h4-12,18-19,23-26,28,41-43H,13-17,34H2,1-3H3,(H2,35,45)(H,36,49)(H,37,44)(H,38,48)(H,39,47)(H,40,46)/t19-,23+,24+,25+,26+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Northern Colorado Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 was evaluated				J Med Chem 43: 2586-90 (2000) BindingDB Entry DOI: 10.7270/Q2JQ11Q1
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104619 (US8575201, 110) Show SMILES CN(C)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H22N8O/c1-30(2)18-7-4-14(10-25-18)19-28-20(29-31-19)22(8-3-9-22)16-5-6-17(24-13-16)15-11-26-21(23)27-12-15/h4-7,10-13H,3,8-9H2,1-2H3,(H2,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104566 (US8575201, 57) Show SMILES CCNc1cnc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C21H21N9O/c1-2-23-17-12-25-16(11-26-17)18-29-19(30-31-18)21(6-3-7-21)14-4-5-15(24-10-14)13-8-27-20(22)28-9-13/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,26)(H2,22,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104555 (US8575201, 46) Show SMILES C[C@H](O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C23H24N8O2/c1-14(32)9-26-19-6-3-15(10-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(25-13-17)16-11-28-22(24)29-12-16/h3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104531 (US8575201, 22) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(OCCO)nc1 Show InChI InChI=1S/C22H21N7O3/c23-21-26-11-15(12-27-21)17-4-3-16(13-24-17)22(6-1-7-22)20-28-19(32-29-20)14-2-5-18(25-10-14)31-9-8-30/h2-5,10-13,30H,1,6-9H2,(H2,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104562 (US8575201, 53) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCN(CCC(O)=O)CC1 Show InChI InChI=1S/C27H29N9O3/c28-26-31-15-19(16-32-26)21-4-3-20(17-29-21)27(7-1-8-27)25-33-24(39-34-25)18-2-5-22(30-14-18)36-12-10-35(11-13-36)9-6-23(37)38/h2-5,14-17H,1,6-13H2,(H,37,38)(H2,28,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104561 (US8575201, 52) Show SMILES CS(=O)(=O)C1CCN(C1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C25H26N8O3S/c1-37(34,35)19-7-10-33(15-19)21-6-3-16(11-28-21)22-31-23(32-36-22)25(8-2-9-25)18-4-5-20(27-14-18)17-12-29-24(26)30-13-17/h3-6,11-14,19H,2,7-10,15H2,1H3,(H2,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104530 (US8575201, 21) Show SMILES CC(C)(CO)Nc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C24H26N8O2/c1-23(2,14-33)31-19-7-4-15(10-27-19)20-30-21(32-34-20)24(8-3-9-24)17-5-6-18(26-13-17)16-11-28-22(25)29-12-16/h4-7,10-13,33H,3,8-9,14H2,1-2H3,(H,27,31)(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104571 (US8575201, 62) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H26N8O/c26-24-29-14-18(15-30-24)21-7-4-19(16-28-21)25(8-1-9-25)23-31-22(34-32-23)17-2-5-20(6-3-17)33-12-10-27-11-13-33/h2-7,14-16,27H,1,8-13H2,(H2,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse)-MOUSE)	BDBM50369571 (CHEMBL1790710) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C33H47N7O9/c1-18(2)13-24(31(47)39-26(17-41)29(35)45)38-32(48)25(15-20-7-5-4-6-8-20)37-27(44)16-36-33(49)28(19(3)42)40-30(46)23(34)14-21-9-11-22(43)12-10-21/h4-12,18-19,23-26,28,41-43H,13-17,34H2,1-3H3,(H2,35,45)(H,36,49)(H,37,44)(H,38,48)(H,39,47)(H,40,46)/t19-,23+,24+,25+,26+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Northern Colorado Curated by ChEMBL					Assay Description Opioid receptor activity was evaluated using mouse vas deferens (MVD) assay				J Med Chem 43: 2586-90 (2000) BindingDB Entry DOI: 10.7270/Q2JQ11Q1
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104598 (US8575201, 89) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C24H24N8O2/c25-23-28-13-17(14-29-23)19-4-3-18(15-26-19)24(6-1-7-24)22-30-21(34-31-22)16-2-5-20(27-12-16)32-8-10-33-11-9-32/h2-5,12-15H,1,6-11H2,(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104512 (US8575201, 3) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C24H25N9O/c25-23-29-13-17(14-30-23)19-4-3-18(15-27-19)24(6-1-7-24)22-31-21(34-32-22)16-2-5-20(28-12-16)33-10-8-26-9-11-33/h2-5,12-15,26H,1,6-11H2,(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104559 (US8575201, 50) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C25H27N9O3S/c1-38(35,36)34-11-9-33(10-12-34)21-6-3-17(13-28-21)22-31-23(32-37-22)25(7-2-8-25)19-4-5-20(27-16-19)18-14-29-24(26)30-15-18/h3-6,13-16H,2,7-12H2,1H3,(H2,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104553 (US8575201, 44) Show SMILES C[C@@H](O)CNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C23H24N8O2/c1-14(32)9-26-19-6-3-15(10-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(25-13-17)16-11-28-22(24)29-12-16/h3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104627 (US8575201, 118) Show SMILES COCCNc1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C23H24N8O2/c1-32-10-9-25-19-6-3-15(11-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(26-14-17)16-12-28-22(24)29-13-16/h3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50261985 (CHEMBL4072041) Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C23H25N9O2/c1-23(16-4-5-16,17-6-7-18(25-11-17)14-8-26-22(24)27-9-14)21-29-20(34-30-21)15-10-28-32(12-15)13-19(33)31(2)3/h6-12,16H,4-5,13H2,1-3H3,(H2,24,26,27)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104518 (US8575201, 9) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(NC2CC2)nc1 Show InChI InChI=1S/C23H22N8O/c24-22-27-11-15(12-28-22)18-6-3-16(13-25-18)23(8-1-9-23)21-30-20(32-31-21)14-2-7-19(26-10-14)29-17-4-5-17/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,26,29)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104541 (US8575201, 32) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H18N6O2/c22-20-24-10-14(11-25-20)17-7-4-15(12-23-17)21(8-1-9-21)19-26-18(29-27-19)13-2-5-16(28)6-3-13/h2-7,10-12,28H,1,8-9H2,(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104626 (US8575201, 117) Show SMILES COCCN(C)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C24H26N8O2/c1-32(10-11-33-2)20-7-4-16(12-27-20)21-30-22(31-34-21)24(8-3-9-24)18-5-6-19(26-15-18)17-13-28-23(25)29-14-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50261946 (CHEMBL4080469) Show SMILES Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C20H20N8O/c1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12/h5-11,14H,3-4H2,1-2H3,(H2,21,23,24)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50261928 (CHEMBL4080822) Show SMILES CC(C)[C@@](C)(c1noc(n1)N1CCC(C)(O)CC1)c1ccc(cc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C23H30N6O2/c1-15(2)23(4,18-7-5-16(6-8-18)17-13-25-20(24)26-14-17)19-27-21(31-28-19)29-11-9-22(3,30)10-12-29/h5-8,13-15,30H,9-12H2,1-4H3,(H2,24,25,26)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104554 (US8575201, 45) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C25H26N8O2/c26-24-29-12-17(13-30-24)20-6-5-18(14-27-20)25(8-2-9-25)23-31-22(35-32-23)16-4-7-21(28-11-16)33-10-1-3-19(33)15-34/h4-7,11-14,19,34H,1-3,8-10,15H2,(H2,26,29,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104565 (US8575201, 56) Show SMILES COCCNc1cnc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H23N9O2/c1-32-8-7-24-18-13-26-17(12-27-18)19-30-20(31-33-19)22(5-2-6-22)15-3-4-16(25-11-15)14-9-28-21(23)29-10-14/h3-4,9-13H,2,5-8H2,1H3,(H,24,27)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104547 (US8575201, 38) Show SMILES COC(=O)[C@H]1CNCCN1c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C26H27N9O3/c1-37-23(36)20-15-28-9-10-35(20)21-6-3-16(11-30-21)22-33-24(34-38-22)26(7-2-8-26)18-4-5-19(29-14-18)17-12-31-25(27)32-13-17/h3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104549 (US8575201, 40) Show SMILES COC(=O)[C@H]1CN(CCN1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C26H27N9O3/c1-37-23(36)20-15-35(10-9-28-20)21-6-3-16(11-30-21)22-33-24(34-38-22)26(7-2-8-26)18-4-5-19(29-14-18)17-12-31-25(27)32-13-17/h3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104621 (US8575201, 112) Show SMILES Nc1ncc(cn1)-c1ccc(cn1)C1(CCC1)c1noc(n1)-c1ccc(nc1)N1CCCC1 Show InChI InChI=1S/C24H24N8O/c25-23-28-13-17(14-29-23)19-6-5-18(15-26-19)24(8-3-9-24)22-30-21(33-31-22)16-4-7-20(27-12-16)32-10-1-2-11-32/h4-7,12-15H,1-3,8-11H2,(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50369572 (CHEMBL1790709) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(N)=O Show InChI InChI=1S/C39H57N7O14/c1-19(2)13-25(36(56)45-27(34(41)54)18-59-39-33(53)32(52)31(51)28(17-47)60-39)44-37(57)26(15-21-7-5-4-6-8-21)43-29(50)16-42-38(58)30(20(3)48)46-35(55)24(40)14-22-9-11-23(49)12-10-22/h4-12,19-20,24-28,30-33,39,47-49,51-53H,13-18,40H2,1-3H3,(H2,41,54)(H,42,58)(H,43,50)(H,44,57)(H,45,56)(H,46,55)/t20-,24+,25+,26+,27+,28+,30-,31+,32-,33-,39+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Northern Colorado Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 was evaluated				J Med Chem 43: 2586-90 (2000) BindingDB Entry DOI: 10.7270/Q2JQ11Q1
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104556 (US8575201, 47) Show SMILES CCOC(=O)CCN1CCN(CC1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 Show InChI InChI=1S/C29H33N9O3/c1-2-40-25(39)8-11-37-12-14-38(15-13-37)24-7-4-20(16-32-24)26-35-27(36-41-26)29(9-3-10-29)22-5-6-23(31-19-22)21-17-33-28(30)34-18-21/h4-7,16-19H,2-3,8-15H2,1H3,(H2,30,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50078060 (CHEMBL3417511) Show SMILES CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C23H25N7O2/c1-22(2,31)14-30-13-17(12-27-30)19-28-20(29-32-19)23(8-3-9-23)18-6-4-15(5-7-18)16-10-25-21(24)26-11-16/h4-7,10-13,31H,3,8-9,14H2,1-2H3,(H2,24,25,26)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM104548 (US8575201, 39) Show SMILES COC(=O)[C@@H]1CN(CCN1)c1ccc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C26H27N9O3/c1-37-23(36)20-15-35(10-9-28-20)21-6-3-16(11-30-21)22-33-24(34-38-22)26(7-2-8-26)18-4-5-19(29-14-18)17-12-31-25(27)32-13-17/h3-6,11-14,20,28H,2,7-10,15H2,1H3,(H2,27,31,32)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP i...				US Patent US8575201 (2013) BindingDB Entry DOI: 10.7270/Q2ZK5FBX
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50262005 (CHEMBL4092404) Show SMILES CC(C)(C)NC(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C25H28N8O2/c1-24(2,3)31-20(34)15-33-14-18(13-29-33)21-30-22(32-35-21)25(9-4-10-25)19-7-5-16(6-8-19)17-11-27-23(26)28-12-17/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,31,34)(H2,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair

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