Compile Data Set for Download or QSAR

Found 1312 hits with Last Name = 'sarko' and Initial = 'c'   

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
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184269 (US9150577, 139) Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r| Show InChI InChI=1S/C26H30N6O2/c1-16-17(2)32-22-15-19(11-10-18(22)14-23(32)25(34)27-16)24(33)29-26-28-20-8-5-6-9-21(20)31(26)13-7-12-30(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,27,34)(H,28,29,33)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249132 ((4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fl...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(Cc2ncc[nH]2)CC1 Show InChI InChI=1S/C22H22FN3O/c23-20-7-5-18(6-8-20)17-1-3-19(4-2-17)22(27)26-13-9-16(10-14-26)15-21-24-11-12-25-21/h1-8,11-12,16H,9-10,13-15H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184222 (US9150577, 82) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C23H23N5O2/c1-4-27-17-8-6-5-7-16(17)25-22(27)26-20(29)15-10-9-14-11-19-21(30)24-13-23(2,3)28(19)18(14)12-15/h5-12H,4,13H2,1-3H3,(H,24,30)(H,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249483 (1-(biphenyl-4-ylsulfonyl)-4-(1H-imidazol-2-yl)pipe...) Show SMILES O=S(=O)(N1CCC(CC1)c1ncc[nH]1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O2S/c24-26(25,23-14-10-18(11-15-23)20-21-12-13-22-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,14-15H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184235 (US9150577, 98) Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C26H30N6O2/c1-26(2)16-27-24(34)22-14-17-10-11-18(15-21(17)32(22)26)23(33)29-25-28-19-8-5-6-9-20(19)31(25)13-7-12-30(3)4/h5-6,8-11,14-15H,7,12-13,16H2,1-4H3,(H,27,34)(H,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249464 ((4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphe...) Show SMILES O=C(N1CCC(Cc2ncc[nH]2)CC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O/c26-22(20-8-6-19(7-9-20)18-4-2-1-3-5-18)25-14-10-17(11-15-25)16-21-23-12-13-24-21/h1-9,12-13,17H,10-11,14-16H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184270 (US9150577, 140) Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184201 (US9150577, 57) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249131 (1-(4'-fluorobiphenyl-4-ylsulfonyl)-4-(1H-imidazol-...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ncc[nH]1 Show InChI InChI=1S/C20H20FN3O2S/c21-18-5-1-15(2-6-18)16-3-7-19(8-4-16)27(25,26)24-13-9-17(10-14-24)20-22-11-12-23-20/h1-8,11-12,17H,9-10,13-14H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184290 (US9150577, 166) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C23H23N5O2/c1-3-27-18-7-5-4-6-17(18)25-23(27)26-21(29)16-9-8-15-12-20-22(30)24-11-10-14(2)28(20)19(15)13-16/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,30)(H,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184260 (US9150577, 130) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-9-17-7-8-18(10-20(17)28(15)21)22(29)26-19-12-25-27(14-19)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184203 (US9150577, 59) Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C22H21N5O2/c1-22(2)12-23-20(29)18-10-13-8-9-14(11-17(13)27(18)22)19(28)25-21-24-15-6-4-5-7-16(15)26(21)3/h4-11H,12H2,1-3H3,(H,23,29)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184223 (US9150577, 83) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C22H21N5O2/c1-3-26-17-7-5-4-6-16(17)24-22(26)25-20(28)15-9-8-14-10-19-21(29)23-12-13(2)27(19)18(14)11-15/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184220 (US9150577, 79) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)N[C@H](C)[C@H](C)n4c3c2)nc2ccccc12 |r| Show InChI InChI=1S/C23H23N5O2/c1-4-27-18-8-6-5-7-17(18)25-23(27)26-21(29)16-10-9-15-11-20-22(30)24-13(2)14(3)28(20)19(15)12-16/h5-14H,4H2,1-3H3,(H,24,30)(H,25,26,29)/t13-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184259 (US9150577, 129) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r| Show InChI InChI=1S/C25H28N6O2/c1-16-15-26-24(33)22-13-17-9-10-18(14-21(17)31(16)22)23(32)28-25-27-19-7-4-5-8-20(19)30(25)12-6-11-29(2)3/h4-5,7-10,13-14,16H,6,11-12,15H2,1-3H3,(H,26,33)(H,27,28,32)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249134 (4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...) Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12 Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184273 (US9150577, 143) Show SMILES C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-9-10-25-24(31)22-11-18-7-8-19(12-21(18)29(16)22)23(30)27-20-13-26-28(15-20)14-17-5-3-2-4-6-17/h2-8,11-13,15-16H,9-10,14H2,1H3,(H,25,31)(H,27,30)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.710	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184202 (US9150577, 58) Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50518185 (CHEMBL4571977) Show SMILES CC(C)(O)c1ccc2OCc3ncccc3\C(=C\CCN3CC[C@](O)(c4ccc(Cl)cc4)C(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8-/t32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184200 (US9150577, 56) Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H19N5O2/c1-21(2)11-22-19(28)17-9-12-7-8-13(10-16(12)26(17)21)18(27)25-20-23-14-5-3-4-6-15(14)24-20/h3-10H,11H2,1-2H3,(H,22,28)(H2,23,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.890	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17922 (2-(1-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...) Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C36H42N4O7/c1-24-8-6-7-11-29(24)37-36(45)38-30-13-12-27(18-32(30)46-2)19-33(41)40-22-28(47-23-26-9-4-3-5-10-26)21-31(40)35(44)39-16-14-25(15-17-39)20-34(42)43/h3-13,18,25,28,31H,14-17,19-23H2,1-2H3,(H,42,43)(H2,37,38,45)/t28-,31+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17930 (2-(4-{[(2S,3S)-3-hydroxy-1-[2-(3-methoxy-4-{[(2-me...) Show SMILES COc1cc(CC(=O)N2CC[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C28H35N5O7/c1-18-5-3-4-6-20(18)29-28(39)30-21-8-7-19(15-23(21)40-2)16-24(35)33-10-9-22(34)26(33)27(38)32-13-11-31(12-14-32)17-25(36)37/h3-8,15,22,26,34H,9-14,16-17H2,1-2H3,(H,36,37)(H2,29,30,39)/t22-,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17937 (2-(4-{[(2S)-1-[2-(3-methoxy-4-{[(2-methylphenyl)ca...) Show SMILES COc1cc(CC(=O)N2C3CCCCC3C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C32H41N5O6/c1-21-7-3-5-9-24(21)33-32(42)34-25-12-11-22(17-28(25)43-2)18-29(38)37-26-10-6-4-8-23(26)19-27(37)31(41)36-15-13-35(14-16-36)20-30(39)40/h3,5,7,9,11-12,17,23,26-27H,4,6,8,10,13-16,18-20H2,1-2H3,(H,39,40)(H2,33,34,42)/t23?,26?,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17931 (2-(4-{[(2S,4S)-4-fluoro-1-[2-(3-methoxy-4-{[(2-met...) Show SMILES COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C28H34FN5O6/c1-18-5-3-4-6-21(18)30-28(39)31-22-8-7-19(13-24(22)40-2)14-25(35)34-16-20(29)15-23(34)27(38)33-11-9-32(10-12-33)17-26(36)37/h3-8,13,20,23H,9-12,14-17H2,1-2H3,(H,36,37)(H2,30,31,39)/t20-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17924 (2-(1-{[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-4-{[(2-me...) Show SMILES COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C29H36N4O7/c1-18-5-3-4-6-22(18)30-29(39)31-23-8-7-20(13-25(23)40-2)14-26(35)33-17-21(34)16-24(33)28(38)32-11-9-19(10-12-32)15-27(36)37/h3-8,13,19,21,24,34H,9-12,14-17H2,1-2H3,(H,36,37)(H2,30,31,39)/t21-,24+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249486 ((4-(1H-imidazol-2-yl)piperidin-1-yl)(4'-fluorobiph...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(CC1)c1ncc[nH]1 Show InChI InChI=1S/C21H20FN3O/c22-19-7-5-16(6-8-19)15-1-3-18(4-2-15)21(26)25-13-9-17(10-14-25)20-23-11-12-24-20/h1-8,11-12,17H,9-10,13-14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r| Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM50360293 (CHEMBL1933280 | US9150577, 81) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12 Show InChI InChI=1S/C22H21N5O2/c1-2-26-17-7-4-3-6-16(17)24-22(26)25-20(28)15-9-8-14-12-19-21(29)23-10-5-11-27(19)18(14)13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17920 (2-(1-{[(2S,4R)-4-methoxy-1-[2-(3-methoxy-4-{[(2-me...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1)C(=O)N1CCC(CC(O)=O)CC1 |r| Show InChI InChI=1S/C30H38N4O7/c1-19-6-4-5-7-23(19)31-30(39)32-24-9-8-21(14-26(24)41-3)15-27(35)34-18-22(40-2)17-25(34)29(38)33-12-10-20(11-13-33)16-28(36)37/h4-9,14,20,22,25H,10-13,15-18H2,1-3H3,(H,36,37)(H2,31,32,39)/t22-,25+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17934 (2-(4-{[(2S,4S)-4-chloro-1-[2-(3-methoxy-4-{[(2-met...) Show SMILES COc1cc(CC(=O)N2C[C@@H](Cl)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C28H34ClN5O6/c1-18-5-3-4-6-21(18)30-28(39)31-22-8-7-19(13-24(22)40-2)14-25(35)34-16-20(29)15-23(34)27(38)33-11-9-32(10-12-33)17-26(36)37/h3-8,13,20,23H,9-12,14-17H2,1-2H3,(H,36,37)(H2,30,31,39)/t20-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM50360301 (CHEMBL1933288 | US9150577, 93) Show SMILES C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r| Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17927 (2-(4-{[(2S,4S)-1-[2-(3-methoxy-4-{[(2-methylphenyl...) Show SMILES COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C34H39N5O7/c1-23-8-6-7-11-27(23)35-34(44)36-28-13-12-24(18-30(28)45-2)19-31(40)39-21-26(46-25-9-4-3-5-10-25)20-29(39)33(43)38-16-14-37(15-17-38)22-32(41)42/h3-13,18,26,29H,14-17,19-22H2,1-2H3,(H,41,42)(H2,35,36,44)/t26-,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r| Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17929 (2-(4-{[(2S,3S)-3-(benzyloxy)-1-[2-(3-methoxy-4-{[(...) Show SMILES COc1cc(CC(=O)N2CC[C@H](OCc3ccccc3)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C35H41N5O7/c1-24-8-6-7-11-27(24)36-35(45)37-28-13-12-26(20-30(28)46-2)21-31(41)40-15-14-29(47-23-25-9-4-3-5-10-25)33(40)34(44)39-18-16-38(17-19-39)22-32(42)43/h3-13,20,29,33H,14-19,21-23H2,1-2H3,(H,42,43)(H2,36,37,45)/t29-,33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184238 (US9150577, 102) Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184236 (US9150577, 100) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C Show InChI InChI=1S/C25H28N6O2/c1-16-15-26-24(33)22-13-17-9-10-18(14-21(17)31(16)22)23(32)28-25-27-19-7-4-5-8-20(19)30(25)12-6-11-29(2)3/h4-5,7-10,13-14,16H,6,11-12,15H2,1-3H3,(H,26,33)(H,27,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17933 (2-(4-{[(2S)-4,4-difluoro-1-[2-(3-methoxy-4-{[(2-me...) Show SMILES COc1cc(CC(=O)N2CC(F)(F)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C28H33F2N5O6/c1-18-5-3-4-6-20(18)31-27(40)32-21-8-7-19(13-23(21)41-2)14-24(36)35-17-28(29,30)15-22(35)26(39)34-11-9-33(10-12-34)16-25(37)38/h3-8,13,22H,9-12,14-17H2,1-2H3,(H,37,38)(H2,31,32,40)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157050 (CHEMBL361914 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...) Show SMILES COc1cc(CC(=O)N2CC=CC2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |c:10| Show InChI InChI=1S/C28H33N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-10,16,23H,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of VLA-4 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 41-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.041 BindingDB Entry DOI: 10.7270/Q23J3F7Q
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17926 (2-(4-{[(2S,3R,4S)-3,4-dihydroxy-1-[2-(3-methoxy-4-...) Show SMILES COc1cc(CC(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C28H35N5O8/c1-17-5-3-4-6-19(17)29-28(40)30-20-8-7-18(13-22(20)41-2)14-23(35)33-15-21(34)26(38)25(33)27(39)32-11-9-31(10-12-32)16-24(36)37/h3-8,13,21,25-26,34,38H,9-12,14-16H2,1-2H3,(H,36,37)(H2,29,30,40)/t21-,25-,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17928 (2-(4-{[(2S,4S)-1-[2-(3-methoxy-4-{[(2-methylphenyl...) Show SMILES COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccc3ccccc3c2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C38H41N5O7/c1-25-7-3-6-10-31(25)39-38(48)40-32-14-11-26(19-34(32)49-2)20-35(44)43-23-30(50-29-13-12-27-8-4-5-9-28(27)21-29)22-33(43)37(47)42-17-15-41(16-18-42)24-36(45)46/h3-14,19,21,30,33H,15-18,20,22-24H2,1-2H3,(H,45,46)(H2,39,40,48)/t30-,33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184214 (US9150577, 71) Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCC[C@@H](C)n4c3c2)nc2ccccc12 |r| Show InChI InChI=1S/C24H25N5O2/c1-14(2)28-19-7-5-4-6-18(19)26-24(28)27-22(30)17-9-8-16-12-21-23(31)25-11-10-15(3)29(21)20(16)13-17/h4-9,12-15H,10-11H2,1-3H3,(H,25,31)(H,26,27,30)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17935 (2-[4-({2-[2-(3-methoxy-4-{[(2-methylphenyl)carbamo...) Show SMILES COc1cc(CC(=O)N2Cc3ccccc3C2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C32H35N5O6/c1-21-7-3-6-10-25(21)33-32(42)34-26-12-11-22(17-27(26)43-2)18-28(38)37-19-23-8-4-5-9-24(23)30(37)31(41)36-15-13-35(14-16-36)20-29(39)40/h3-12,17,30H,13-16,18-20H2,1-2H3,(H,39,40)(H2,33,34,42)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50056504 (CHEMBL3334824) Show SMILES CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015 BindingDB Entry DOI: 10.7270/Q2D79FSV
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17925 (2-(4-{[(3aR,4S,6aS)-5-[2-(3-methoxy-4-{[(2-methylp...) Show SMILES COc1cc(CC(=O)N2C[C@@H]3OC(C)(C)O[C@@H]3[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C31H39N5O8/c1-19-7-5-6-8-21(19)32-30(41)33-22-10-9-20(15-23(22)42-4)16-25(37)36-17-24-28(44-31(2,3)43-24)27(36)29(40)35-13-11-34(12-14-35)18-26(38)39/h5-10,15,24,27-28H,11-14,16-18H2,1-4H3,(H,38,39)(H2,32,33,41)/t24-,27-,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157041 (CHEMBL185571 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...) Show SMILES COc1cc(CC(=O)N2CCCC2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H35N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-4,6-7,9-10,16,23H,5,8,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of VLA-4 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 41-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.041 BindingDB Entry DOI: 10.7270/Q23J3F7Q
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157039 (CHEMBL179780 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...) Show SMILES COc1cc(CC(=O)N2CCCC2CN2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C Show InChI InChI=1S/C28H37N5O5/c1-20-6-3-4-8-23(20)29-28(37)30-24-10-9-21(16-25(24)38-2)17-26(34)33-11-5-7-22(33)18-31-12-14-32(15-13-31)19-27(35)36/h3-4,6,8-10,16,22H,5,7,11-15,17-19H2,1-2H3,(H,35,36)(H2,29,30,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of VLA-4 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 41-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.041 BindingDB Entry DOI: 10.7270/Q23J3F7Q
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17918 (2-(4-{[(2S)-1-[2-(3-methoxy-4-{[(2-methylphenyl)ca...) Show SMILES COc1cc(CC(=O)N2CCC[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C28H35N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-4,6-7,9-10,16,23H,5,8,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)/t23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184207 (US9150577, 63) Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1C Show InChI InChI=1S/C22H21N5O2/c1-13-9-10-23-21(29)19-11-14-7-8-15(12-18(14)27(13)19)20(28)25-22-24-16-5-3-4-6-17(16)26(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,23,29)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17921 (2-(4-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...) Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r| Show InChI InChI=1S/C35H41N5O7/c1-24-8-6-7-11-28(24)36-35(45)37-29-13-12-26(18-31(29)46-2)19-32(41)40-21-27(47-23-25-9-4-3-5-10-25)20-30(40)34(44)39-16-14-38(15-17-39)22-33(42)43/h3-13,18,27,30H,14-17,19-23H2,1-2H3,(H,42,43)(H2,36,37,45)/t27-,30+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.5	22
Daiichi Pharmaceutical					Assay Description The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...				Bioorg Med Chem 14: 2725-46 (2006) Article DOI: 10.1016/j.bmc.2005.11.058 BindingDB Entry DOI: 10.7270/Q2ZW1J5H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184213 (US9150577, 70) Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NC[C@H](C)[C@H](C)n4c3c2)nc2ccccc12 |r| Show InChI InChI=1S/C25H27N5O2/c1-14(2)29-20-8-6-5-7-19(20)27-25(29)28-23(31)18-10-9-17-11-22-24(32)26-13-15(3)16(4)30(22)21(17)12-18/h5-12,14-16H,13H2,1-4H3,(H,26,32)(H,27,28,31)/t15-,16-/m0/s1	PDB 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	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1312 total )  |  Next  |  Last  >>

Jump to: