Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'okuyama' and Initial = 'a'   

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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157445 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CCCOc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C34H40Cl2N2O5/c1-7-17-43-29-16-13-23(19-28(29)38(20-21(2)3)33(42)34(4,5)6)25(32(40)41)18-22-11-14-24(15-12-22)37-31(39)30-26(35)9-8-10-27(30)36/h8-16,19,21,25H,7,17-18,20H2,1-6H3,(H,37,39)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157461 (3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-ph...) Show SMILES CCc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C32H37Cl2N3O4/c1-7-21-10-11-22(15-27(21)37(18-19(2)3)31(41)32(4,5)6)24(30(39)40)14-20-8-12-23(13-9-20)36-29(38)28-25(33)16-35-17-26(28)34/h8-13,15-17,19,24H,7,14,18H2,1-6H3,(H,36,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157458 (3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-ph...) Show SMILES CCOc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C32H37Cl2N3O5/c1-7-42-27-13-10-21(15-26(27)37(18-19(2)3)31(41)32(4,5)6)23(30(39)40)14-20-8-11-22(12-9-20)36-29(38)28-24(33)16-35-17-25(28)34/h8-13,15-17,19,23H,7,14,18H2,1-6H3,(H,36,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157446 (3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-ph...) Show SMILES CC(C)CN(C(=O)C(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H32Cl2F3N3O4/c1-17(2)16-39(29(43)30(3,4)5)22-12-19(11-20(13-22)31(34,35)36)23(28(41)42)10-18-6-8-21(9-7-18)38-27(40)26-24(32)14-37-15-25(26)33/h6-9,11-15,17,23H,10,16H2,1-5H3,(H,38,40)(H,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157464 (3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-ph...) Show SMILES CCCOc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H39Cl2N3O5/c1-7-14-43-28-13-10-22(16-27(28)38(19-20(2)3)32(42)33(4,5)6)24(31(40)41)15-21-8-11-23(12-9-21)37-30(39)29-25(34)17-36-18-26(29)35/h8-13,16-18,20,24H,7,14-15,19H2,1-6H3,(H,37,39)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157470 (3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-ph...) Show SMILES CC(C)CN(C(=O)C(C)(C)C)c1cc(ccc1OC(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H39Cl2N3O5/c1-19(2)18-38(32(42)33(5,6)7)27-15-22(10-13-28(27)43-20(3)4)24(31(40)41)14-21-8-11-23(12-9-21)37-30(39)29-25(34)16-36-17-26(29)35/h8-13,15-17,19-20,24H,14,18H2,1-7H3,(H,37,39)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157475 (3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-ph...) Show SMILES COc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H35Cl2N3O5/c1-18(2)17-36(30(40)31(3,4)5)25-14-20(9-12-26(25)41-6)22(29(38)39)13-19-7-10-21(11-8-19)35-28(37)27-23(32)15-34-16-24(27)33/h7-12,14-16,18,22H,13,17H2,1-6H3,(H,35,37)(H,38,39)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157447 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES COc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C32H36Cl2N2O5/c1-19(2)18-36(31(40)32(3,4)5)26-17-21(12-15-27(26)41-6)23(30(38)39)16-20-10-13-22(14-11-20)35-29(37)28-24(33)8-7-9-25(28)34/h7-15,17,19,23H,16,18H2,1-6H3,(H,35,37)(H,38,39)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146476 (CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)| Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146477 (CHEMBL99045 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...) Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1 Show InChI InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146473 (2,2-Dimethyl-propionic acid 4-{2-(formyl-hydroxy-a...) Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#8]-[#6](=O)C([#6])([#6])[#6])-[#7](-[#8])-[#6]=O)c2ccccc2n1 Show InChI InChI=1S/C31H37N3O7S/c1-22-17-24(28-7-5-6-8-29(28)32-22)19-40-26-9-11-27(12-10-26)42(38,39)20-25(34(37)21-35)18-23-13-15-33(16-14-23)41-30(36)31(2,3)4/h5-12,17-18,21,25,37H,13-16,19-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146480 (CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)| Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146475 (CHEMBL98202 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...) Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#16]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1 Show InChI InChI=1S/C26H28N2O5S2/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-33-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-34-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157459 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CCOc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H38Cl2N2O5/c1-7-42-28-16-13-22(18-27(28)37(19-20(2)3)32(41)33(4,5)6)24(31(39)40)17-21-11-14-23(15-12-21)36-30(38)29-25(34)9-8-10-26(29)35/h8-16,18,20,24H,7,17,19H2,1-6H3,(H,36,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146468 (CHEMBL98852 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...) Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2/[#6]-[#6]-[#6](=O)-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1 Show InChI InChI=1S/C27H28N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-15,18,22,32H,6-9,16-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157469 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES COCOc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H38Cl2N2O6/c1-20(2)18-37(32(41)33(3,4)5)27-17-22(12-15-28(27)43-19-42-6)24(31(39)40)16-21-10-13-23(14-11-21)36-30(38)29-25(34)8-7-9-26(29)35/h7-15,17,20,24H,16,18-19H2,1-6H3,(H,36,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146467 (CHEMBL99365 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(=O)CC2)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C27H30N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-14,18,20,22,32H,6-9,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157466 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CCc1ccc(cc1N(CC(C)C)C(=O)C(C)(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H38Cl2N2O4/c1-7-22-13-14-23(18-28(22)37(19-20(2)3)32(41)33(4,5)6)25(31(39)40)17-21-11-15-24(16-12-21)36-30(38)29-26(34)9-8-10-27(29)35/h8-16,18,20,25H,7,17,19H2,1-6H3,(H,36,38)(H,39,40)	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146472 (CHEMBL318252 | N-Hydroxy-N-{1-(1-isobutyl-piperidi...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/[#6](-[#6]S(=O)(=O)c1ccc(-[#8]-[#6]-c2cc(-[#6])nc3ccccc23)cc1)-[#7](-[#8])-[#6]=O Show InChI InChI=1S/C30H37N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16-17,21-22,26,35H,12-15,18-20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157463 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CC(C)CN(C(=O)C(C)(C)C)c1cc(ccc1OC(C)C)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C34H40Cl2N2O5/c1-20(2)19-38(33(42)34(5,6)7)28-18-23(13-16-29(28)43-21(3)4)25(32(40)41)17-22-11-14-24(15-12-22)37-31(39)30-26(35)9-8-10-27(30)36/h8-16,18,20-21,25H,17,19H2,1-7H3,(H,37,39)(H,40,41)	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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146479 (CHEMBL328645 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(6.8,-4.04,;5.46,-3.27,;5.44,-1.73,;4.11,-.96,;4.09,.58,;5.44,1.35,;6.77,.6,;6.77,-.94,;8.1,-1.71,;9.43,-.93,;9.43,.62,;8.08,1.37,;10.78,-1.69,;11.55,-.36,;10.02,-3.03,;12.11,-2.46,;13.44,-1.69,;13.42,-.16,;12.07,.6,;12.05,2.14,;13.38,2.93,;14.73,2.17,;14.75,.62,;13.37,4.47,;12.02,5.23,;14.78,-2.43,;16.11,-1.64,;14.82,-3.97,;16.15,-4.72,;2.78,-1.73,;1.45,-.96,;.12,-1.75,;.12,-3.29,;1.45,-4.06,;2.78,-3.27,;4.13,-4.04,)| Show InChI InChI=1S/C26H29N3O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-35-22-10-12-23(13-11-22)36(33,34)16-26(29(32)17-30)19-6-8-21(28-31)9-7-19/h2-5,10-14,17,19,21,26,32H,6-9,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157465 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CC(C)CN(C(=O)C(C)(C)C)c1cc(ccc1O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H34Cl2N2O5/c1-18(2)17-35(30(40)31(3,4)5)25-16-20(11-14-26(25)36)22(29(38)39)15-19-9-12-21(13-10-19)34-28(37)27-23(32)7-6-8-24(27)33/h6-14,16,18,22,36H,15,17H2,1-5H3,(H,34,37)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146478 (CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...) Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1 Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146471 (CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157443 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES COc1cc(cc(N(CC(C)C)C(=O)C(C)(C)C)c1OC)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H38Cl2N2O6/c1-19(2)18-37(32(41)33(3,4)5)26-16-21(17-27(42-6)29(26)43-7)23(31(39)40)15-20-11-13-22(14-12-20)36-30(38)28-24(34)9-8-10-25(28)35/h8-14,16-17,19,23H,15,18H2,1-7H3,(H,36,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50117056 ((S)-2-(2-Bromo-6-methyl-benzoylamino)-3-[4-(2,6-di...) Show SMILES Cc1cccc(Br)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C24H19BrCl2N2O4/c1-13-4-2-5-16(25)20(13)22(30)29-19(24(32)33)12-14-8-10-15(11-9-14)28-23(31)21-17(26)6-3-7-18(21)27/h2-11,19H,12H2,1H3,(H,28,31)(H,29,30)(H,32,33)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146469 (CHEMBL319782 | N-Hydroxy-N-[2-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=O)CC2)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-34-22-10-12-23(13-11-22)35(32,33)16-26(28(31)17-29)19-6-8-21(30)9-7-19/h2-5,10-14,17,19,26,31H,6-9,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157474 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CC(C)CN(C(=O)C(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C32H33Cl2F3N2O4/c1-18(2)17-39(30(43)31(3,4)5)23-15-20(14-21(16-23)32(35,36)37)24(29(41)42)13-19-9-11-22(12-10-19)38-28(40)27-25(33)7-6-8-26(27)34/h6-12,14-16,18,24H,13,17H2,1-5H3,(H,38,40)(H,41,42)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146470 (CHEMBL328199 | N-Hydroxy-N-{1-(4-methylene-cyclohe...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=C)CC2)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C27H30N2O5S/c1-19-7-9-21(10-8-19)27(29(31)18-30)17-35(32,33)24-13-11-23(12-14-24)34-16-22-15-20(2)28-26-6-4-3-5-25(22)26/h3-6,11-15,18,21,27,31H,1,7-10,16-17H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157467 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2-...) Show SMILES CCC(CC)C(=O)N(CC(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C32H36Cl2N2O4/c1-5-22(6-2)31(38)36(19-20(3)4)25-10-7-9-23(18-25)26(32(39)40)17-21-13-15-24(16-14-21)35-30(37)29-27(33)11-8-12-28(29)34/h7-16,18,20,22,26H,5-6,17,19H2,1-4H3,(H,35,37)(H,39,40)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157455 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-[3-(iso...) Show SMILES CC(C)CN(C(=O)C(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C30H32Cl2N2O4/c1-18(2)17-34(29(36)19(3)4)23-8-5-7-21(16-23)24(30(37)38)15-20-11-13-22(14-12-20)33-28(35)27-25(31)9-6-10-26(27)32/h5-14,16,18-19,24H,15,17H2,1-4H3,(H,33,35)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50146474 (CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM16801 ((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-d...) Show SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157444 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CC(C)CN(C(=O)C(C)(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H34Cl2N2O4/c1-19(2)18-35(30(39)31(3,4)5)23-9-6-8-21(17-23)24(29(37)38)16-20-12-14-22(15-13-20)34-28(36)27-25(32)10-7-11-26(27)33/h6-15,17,19,24H,16,18H2,1-5H3,(H,34,36)(H,37,38)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146471 (CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50146471 (CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146480 (CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)| Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146467 (CHEMBL99365 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(=O)CC2)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C27H30N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-14,18,20,22,32H,6-9,15-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146478 (CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...) Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1 Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146479 (CHEMBL328645 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(6.8,-4.04,;5.46,-3.27,;5.44,-1.73,;4.11,-.96,;4.09,.58,;5.44,1.35,;6.77,.6,;6.77,-.94,;8.1,-1.71,;9.43,-.93,;9.43,.62,;8.08,1.37,;10.78,-1.69,;11.55,-.36,;10.02,-3.03,;12.11,-2.46,;13.44,-1.69,;13.42,-.16,;12.07,.6,;12.05,2.14,;13.38,2.93,;14.73,2.17,;14.75,.62,;13.37,4.47,;12.02,5.23,;14.78,-2.43,;16.11,-1.64,;14.82,-3.97,;16.15,-4.72,;2.78,-1.73,;1.45,-.96,;.12,-1.75,;.12,-3.29,;1.45,-4.06,;2.78,-3.27,;4.13,-4.04,)| Show InChI InChI=1S/C26H29N3O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-35-22-10-12-23(13-11-22)36(33,34)16-26(29(32)17-30)19-6-8-21(28-31)9-7-19/h2-5,10-14,17,19,21,26,32H,6-9,15-16H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146473 (2,2-Dimethyl-propionic acid 4-{2-(formyl-hydroxy-a...) Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#8]-[#6](=O)C([#6])([#6])[#6])-[#7](-[#8])-[#6]=O)c2ccccc2n1 Show InChI InChI=1S/C31H37N3O7S/c1-22-17-24(28-7-5-6-8-29(28)32-22)19-40-26-9-11-27(12-10-26)42(38,39)20-25(34(37)21-35)18-23-13-15-33(16-14-23)41-30(36)31(2,3)4/h5-12,17-18,21,25,37H,13-16,19-20H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50146480 (CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)| Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146469 (CHEMBL319782 | N-Hydroxy-N-[2-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=O)CC2)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-34-22-10-12-23(13-11-22)35(32,33)16-26(28(31)17-29)19-6-8-21(30)9-7-19/h2-5,10-14,17,19,26,31H,6-9,15-16H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157450 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-[3-(iso...) Show SMILES CC(C)CN(C(=O)Cc1ccccc1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C34H32Cl2N2O4/c1-22(2)21-38(31(39)19-23-8-4-3-5-9-23)27-11-6-10-25(20-27)28(34(41)42)18-24-14-16-26(17-15-24)37-33(40)32-29(35)12-7-13-30(32)36/h3-17,20,22,28H,18-19,21H2,1-2H3,(H,37,40)(H,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157448 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(3,...) Show SMILES CC(C)CN(C(=O)CC(C)(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C32H36Cl2N2O4/c1-20(2)19-36(28(37)18-32(3,4)5)24-9-6-8-22(17-24)25(31(39)40)16-21-12-14-23(15-13-21)35-30(38)29-26(33)10-7-11-27(29)34/h6-15,17,20,25H,16,18-19H2,1-5H3,(H,35,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157456 (2-{3-[(Cyclohex-3-enecarbonyl)-isobutyl-amino]-phe...) Show SMILES CC(C)CN(C(=O)C1CCCCC1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C33H36Cl2N2O4/c1-21(2)20-37(32(39)23-8-4-3-5-9-23)26-11-6-10-24(19-26)27(33(40)41)18-22-14-16-25(17-15-22)36-31(38)30-28(34)12-7-13-29(30)35/h6-7,10-17,19,21,23,27H,3-5,8-9,18,20H2,1-2H3,(H,36,38)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157471 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-[3-(iso...) Show SMILES CCC(=O)N(CC(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C29H30Cl2N2O4/c1-4-26(34)33(17-18(2)3)22-8-5-7-20(16-22)23(29(36)37)15-19-11-13-21(14-12-19)32-28(35)27-24(30)9-6-10-25(27)31/h5-14,16,18,23H,4,15,17H2,1-3H3,(H,32,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157468 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[iso...) Show SMILES COc1ccc(cc1)C(=O)N(CC(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C34H32Cl2N2O5/c1-21(2)20-38(33(40)23-12-16-27(43-3)17-13-23)26-7-4-6-24(19-26)28(34(41)42)18-22-10-14-25(15-11-22)37-32(39)31-29(35)8-5-9-30(31)36/h4-17,19,21,28H,18,20H2,1-3H3,(H,37,39)(H,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...				Bioorg Med Chem Lett 15: 217-20 (2004) Article DOI: 10.1016/j.bmcl.2004.09.089 BindingDB Entry DOI: 10.7270/Q27945Z1
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50146474 (CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-17				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50146474 (CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1 Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair

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