Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50042232   

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
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
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
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
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
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
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
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
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
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
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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157457 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[iso...) Show SMILES CC(C)CN(C(=O)c1cccs1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H28Cl2N2O4S/c1-19(2)18-35(30(37)27-10-5-15-40-27)23-7-3-6-21(17-23)24(31(38)39)16-20-11-13-22(14-12-20)34-29(36)28-25(32)8-4-9-26(28)33/h3-15,17,19,24H,16,18H2,1-2H3,(H,34,36)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157476 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...) Show SMILES CCCN(C(=O)C(C)(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C30H32Cl2N2O4/c1-5-16-34(29(38)30(2,3)4)22-9-6-8-20(18-22)23(28(36)37)17-19-12-14-21(15-13-19)33-27(35)26-24(31)10-7-11-25(26)32/h6-15,18,23H,5,16-17H2,1-4H3,(H,33,35)(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	1.70E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157449 (2-[3-(Benzoyl-isobutyl-amino)-phenyl]-3-[4-(2,6-di...) 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/C33H30Cl2N2O4/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/h3-17,19,21,27H,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	1.70E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157462 (2-[3-(Acetyl-isobutyl-amino)-phenyl]-3-[4-(2,6-dic...) Show SMILES CC(C)CN(C(C)=O)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C28H28Cl2N2O4/c1-17(2)16-32(18(3)33)22-7-4-6-20(15-22)23(28(35)36)14-19-10-12-21(13-11-19)31-27(34)26-24(29)8-5-9-25(26)30/h4-13,15,17,23H,14,16H2,1-3H3,(H,31,34)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157473 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-[3-(met...) Show SMILES CN(C(=O)Cc1ccccc1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H26Cl2N2O4/c1-35(28(36)18-20-7-3-2-4-8-20)24-10-5-9-22(19-24)25(31(38)39)17-21-13-15-23(16-14-21)34-30(37)29-26(32)11-6-12-27(29)33/h2-16,19,25H,17-18H2,1H3,(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	5.00E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157452 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(3-{iso...) Show SMILES CC(C)CN(C(=O)\C=C\c1ccccc1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C35H32Cl2N2O4/c1-23(2)22-39(32(40)19-16-24-8-4-3-5-9-24)28-11-6-10-26(21-28)29(35(42)43)20-25-14-17-27(18-15-25)38-34(41)33-30(36)12-7-13-31(33)37/h3-19,21,23,29H,20,22H2,1-2H3,(H,38,41)(H,42,43)/b19-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157453 (2-{3-[Benzyl-(2,2-dimethyl-propionyl)-amino]-pheny...) Show SMILES CC(C)(C)C(=O)N(Cc1ccccc1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C34H32Cl2N2O4/c1-34(2,3)33(42)38(21-23-9-5-4-6-10-23)26-12-7-11-24(20-26)27(32(40)41)19-22-15-17-25(18-16-22)37-31(39)30-28(35)13-8-14-29(30)36/h4-18,20,27H,19,21H2,1-3H3,(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	5.80E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157454 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(fu...) Show SMILES CC(C)CN(C(=O)c1ccco1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H28Cl2N2O5/c1-19(2)18-35(30(37)27-10-5-15-40-27)23-7-3-6-21(17-23)24(31(38)39)16-20-11-13-22(14-12-20)34-29(36)28-25(32)8-4-9-26(28)33/h3-15,17,19,24H,16,18H2,1-2H3,(H,34,36)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157460 (2-[3-(tert-Butoxycarbonyl-isobutyl-amino)-phenyl]-...) Show SMILES CC(C)CN(C(=O)OC(C)(C)C)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C31H34Cl2N2O5/c1-19(2)18-35(30(39)40-31(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 Similars	Article PubMed	n/a	n/a	7.10E+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
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50157472 (3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(3-phen...) Show SMILES OC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)c1cccc(NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C30H24Cl2N2O4/c31-25-10-5-11-26(32)28(25)29(36)34-22-14-12-20(13-15-22)16-24(30(37)38)21-8-4-9-23(18-21)33-27(35)17-19-6-2-1-3-7-19/h1-15,18,24H,16-17H2,(H,33,35)(H,34,36)(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	>1.00E+5	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))	BDBM50157451 (2-{3-[(Cyclohex-3-enecarbonyl)-amino]-phenyl}-3-[4...) Show SMILES OC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)c1cccc(NC(=O)C2CCCCC2)c1 Show InChI InChI=1S/C29H28Cl2N2O4/c30-24-10-5-11-25(31)26(24)28(35)32-21-14-12-18(13-15-21)16-23(29(36)37)20-8-4-9-22(17-20)33-27(34)19-6-2-1-3-7-19/h4-5,8-15,17,19,23H,1-3,6-7,16H2,(H,32,35)(H,33,34)(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	>1.00E+5	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