Compile Data Set for Download or QSAR

Found 243 hits for UniProtKB: P19320   

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
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105195 (4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3cccn3)cncc2s1 Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105164 (4-(4-Thiophen-2-yl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3cccs3)cncc2s1 Show InChI InChI=1S/C19H14N2O2S2/c1-20-19(22)17-9-14-15(10-21-11-18(14)25-17)23-13-6-4-12(5-7-13)16-3-2-8-24-16/h2-11H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105151 (4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1 Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105162 (4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to IL-1beta induced VCAM-1 in human endothelial cells (ELISA assay)				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105162 (4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to TNF-alpha induced VCAM-1 in human endothelial cells (ELISA assay)				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105178 (4-(4-Iodo-phenoxy)-thieno[2,3-c]pyridine-2-carboxy...) Show SMILES NC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1 Show InChI InChI=1S/C14H9IN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260669 (US9533985, 57) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H23F2N9O7S/c1-40-25-14-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)10-24(30(45)46)38-28(43)27-22(32)11-18(12-23(27)33)39-50(48,49)26-7-6-20(13-36-26)41-16-35-15-37-41/h2-9,11-16,24,39H,10H2,1H3,(H,38,43)(H,45,46)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105205 (4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)-n3ccnc3)cncc2s1 Show InChI InChI=1S/C17H12N4O2S/c18-17(22)15-7-13-14(8-20-9-16(13)24-15)23-12-3-1-11(2-4-12)21-6-5-19-10-21/h1-10H,(H2,18,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260666 (US9533985, 54) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C33H24F2N8O7S/c1-42-27-16-36-9-8-23(27)31(45)43(33(42)48)22-5-2-18(3-6-22)10-26(32(46)47)40-30(44)29-24(34)11-21(12-25(29)35)41-51(49,50)28-7-4-19(15-39-28)20-13-37-17-38-14-20/h2-9,11-17,26,41H,10H2,1H3,(H,40,44)(H,46,47)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105201 (4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3ccnc3)cncc2s1 Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)22-7-6-20-11-22/h2-11H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105156 (4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1 Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to IL-1beta induced VCAM-1 in human endothelial cells (ELISA assay)				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105162 (4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to PMA induced VCAM-1 in human endothelial cells (ELISA assay)				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105156 (4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1 Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to PMA induced VCAM-1 in human endothelial cells (ELISA assay)				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260671 (US9533985, 59) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4nccs4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C32H23F2N7O7S2/c1-40-25-16-35-9-8-21(25)30(43)41(32(40)46)20-5-2-17(3-6-20)12-24(31(44)45)38-28(42)27-22(33)13-19(14-23(27)34)39-50(47,48)26-7-4-18(15-37-26)29-36-10-11-49-29/h2-11,13-16,24,39H,12H2,1H3,(H,38,42)(H,44,45)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260683 (US9533985, 71) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4ccnn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H23F2N9O7S/c1-40-25-16-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)12-24(30(45)46)37-28(43)27-22(32)13-18(14-23(27)33)38-50(48,49)26-7-6-20(15-35-26)41-11-10-36-39-41/h2-11,13-16,24,38H,12H2,1H3,(H,37,43)(H,45,46)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105185 (4-(4-Methoxymethyl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES COCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H14N2O3S/c1-20-9-10-2-4-11(5-3-10)21-13-7-18-8-15-12(13)6-14(22-15)16(17)19/h2-8H,9H2,1H3,(H2,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105182 (4-(4-Methoxymethyl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(COC)cc3)cncc2s1 Show InChI InChI=1S/C17H16N2O3S/c1-18-17(20)15-7-13-14(8-19-9-16(13)23-15)22-12-5-3-11(4-6-12)10-21-2/h3-9H,10H2,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>24	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105156 (4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1 Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to TNF-alpha induced VCAM-1 in human endothelial cells (ELISA assay)				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260681 (US9533985, 69) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C4=CCNCC4)cc3F)C(O)=O)cc2)c1=O |r,t:37| Show InChI InChI=1S/C35H30F2N6O7S/c1-42-30-19-39-15-12-26(30)33(45)43(35(42)48)24-6-2-20(3-7-24)16-29(34(46)47)40-32(44)31-27(36)17-23(18-28(31)37)41-51(49,50)25-8-4-21(5-9-25)22-10-13-38-14-11-22/h2-10,12,15,17-19,29,38,41H,11,13-14,16H2,1H3,(H,40,44)(H,46,47)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260667 (US9533985, 55) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(nc4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H23F2N9O7S/c1-40-25-14-34-9-8-21(25)29(44)42(31(40)47)19-4-2-17(3-5-19)10-24(30(45)46)38-28(43)27-22(32)11-18(12-23(27)33)39-50(48,49)20-6-7-26(36-13-20)41-16-35-15-37-41/h2-9,11-16,24,39H,10H2,1H3,(H,38,43)(H,45,46)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105162 (4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260654 (US9533985, 42) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(nc4)-c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C34H25F2N7O7S/c1-42-29-18-38-13-10-24(29)32(45)43(34(42)48)22-4-2-19(3-5-22)14-28(33(46)47)40-31(44)30-25(35)15-21(16-26(30)36)41-51(49,50)23-6-7-27(39-17-23)20-8-11-37-12-9-20/h2-13,15-18,28,41H,14H2,1H3,(H,40,44)(H,46,47)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260660 (US9533985, 48) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncc[nH]4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105173 (4-(4-Amino-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(N)cc3)cncc2s1 Show InChI InChI=1S/C14H11N3O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,15H2,(H2,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105159 (4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C15H11ClN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory potency compared to IL-1beta induced VCAM-1 expression in human endothelial cells (ELISA assay)				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105209 (4-[4-(1-Hydroxymethyl-cyclopropyl)-phenoxy]-thieno...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C3(CO)CC3)cncc2s1 Show InChI InChI=1S/C19H18N2O3S/c1-20-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)19(11-22)6-7-19/h2-5,8-10,22H,6-7,11H2,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105202 (4-(Biphenyl-4-yloxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3ccccc3)cncc2s1 Show InChI InChI=1S/C21H16N2O2S/c1-22-21(24)19-11-17-18(12-23-13-20(17)26-19)25-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105215 (4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C#N)cncc2s1 Show InChI InChI=1S/C15H9N3O2S/c16-6-9-1-3-10(4-2-9)20-12-7-18-8-14-11(12)5-13(21-14)15(17)19/h1-5,7-8H,(H2,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105197 (4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C#N)cncc2s1 Show InChI InChI=1S/C16H11N3O2S/c1-18-16(20)14-6-12-13(8-19-9-15(12)22-14)21-11-4-2-10(7-17)3-5-11/h2-6,8-9H,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105161 (4-(4-Isopropyl-phenoxy)-thieno[2,3-c]pyridine-2-ca...) Show SMILES CC(C)c1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C17H16N2O2S/c1-10(2)11-3-5-12(6-4-11)21-14-8-19-9-16-13(14)7-15(22-16)17(18)20/h3-10H,1-2H3,(H2,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105222 (4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1 Show InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)8-1-3-9(4-2-8)22-11-6-20-7-13-10(11)5-12(23-13)14(19)21/h1-7H,(H2,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50098490 (4-(4-Trifluoromethyl-phenylsulfanyl)-thieno[2,3-c]...) Show SMILES NC(=O)c1cc2c(Sc3ccc(cc3)C(F)(F)F)cncc2s1 Show InChI InChI=1S/C15H9F3N2OS2/c16-15(17,18)8-1-3-9(4-2-8)22-12-6-20-7-13-10(12)5-11(23-13)14(19)21/h1-7H,(H2,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260674 (US9533985, 62) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4cccn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C33H25F2N7O7S/c1-40-28-18-36-13-11-24(28)31(44)42(33(40)47)22-5-3-19(4-6-22)15-27(32(45)46)38-30(43)29-25(34)16-20(17-26(29)35)39-50(48,49)23-9-7-21(8-10-23)41-14-2-12-37-41/h2-14,16-18,27,39H,15H2,1H3,(H,38,43)(H,45,46)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260680 (US9533985, 68) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccnc(F)c4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C35H25F3N6O7S/c1-43-29-18-39-12-11-25(29)33(46)44(35(43)49)23-6-2-19(3-7-23)14-28(34(47)48)41-32(45)31-26(36)16-22(17-27(31)37)42-52(50,51)24-8-4-20(5-9-24)21-10-13-40-30(38)15-21/h2-13,15-18,28,42H,14H2,1H3,(H,41,45)(H,47,48)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105156 (4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1 Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105152 (4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES CN(C)C(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C16H13ClN2O2S/c1-19(2)16(20)14-7-12-13(8-18-9-15(12)22-14)21-11-5-3-10(17)4-6-11/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260653 (US9533985, 41) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C34H25F2N7O7S/c1-42-28-18-37-14-11-24(28)32(45)43(34(42)48)22-7-3-19(4-8-22)15-27(33(46)47)40-31(44)29-25(35)16-21(17-26(29)36)41-51(49,50)23-9-5-20(6-10-23)30-38-12-2-13-39-30/h2-14,16-18,27,41H,15H2,1H3,(H,40,44)(H,46,47)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105221 (4-(4-Ethyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES CCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H14N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h3-9H,2H2,1H3,(H2,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105191 (4-[4-(3-Morpholin-4-yl-3-oxo-propenyl)-phenoxy]-th...) Show SMILES NC(=O)c1cc2c(Oc3ccc(\C=C\C(=O)N4CCOCC4)cc3)cncc2s1 Show InChI InChI=1S/C21H19N3O4S/c22-21(26)18-11-16-17(12-23-13-19(16)29-18)28-15-4-1-14(2-5-15)3-6-20(25)24-7-9-27-10-8-24/h1-6,11-13H,7-10H2,(H2,22,26)/b6-3+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260651 (US9533985, 39) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C29H23FN6O7S/c1-35-25-16-32-13-10-22(25)27(38)36(29(35)41)19-5-2-17(3-6-19)14-24(28(39)40)33-26(37)21-7-4-18(15-23(21)30)34-44(42,43)20-8-11-31-12-9-20/h2-13,15-16,24,34H,14H2,1H3,(H,33,37)(H,39,40)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260673 (US9533985, 61) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4nccn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C32H24F2N8O7S/c1-40-27-17-35-11-10-23(27)30(44)41(32(40)47)20-4-2-18(3-5-20)14-26(31(45)46)38-29(43)28-24(33)15-19(16-25(28)34)39-50(48,49)22-8-6-21(7-9-22)42-36-12-13-37-42/h2-13,15-17,26,39H,14H2,1H3,(H,38,43)(H,45,46)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260689 (US9533985, 77) Show SMILES Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-c5ncccn5)cc4F)C(O)=O)cc3)c(=O)c12 |r| Show InChI InChI=1S/C33H26F2N8O7S/c1-41-17-38-29-27(41)31(45)43(33(48)42(29)2)21-8-4-18(5-9-21)14-25(32(46)47)39-30(44)26-23(34)15-20(16-24(26)35)40-51(49,50)22-10-6-19(7-11-22)28-36-12-3-13-37-28/h3-13,15-17,25,40H,14H2,1-2H3,(H,39,44)(H,46,47)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105166 (4-(4-Fluoro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES NC(=O)c1cc2c(Oc3ccc(F)cc3)cncc2s1 Show InChI InChI=1S/C14H9FN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>153	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260668 (US9533985, 56) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C28H22F2N8O7S/c1-36-9-8-24(39)38(28(36)43)18-4-2-16(3-5-18)10-22(27(41)42)34-26(40)25-20(29)11-17(12-21(25)30)35-46(44,45)23-7-6-19(13-32-23)37-15-31-14-33-37/h2-9,11-15,22,35H,10H2,1H3,(H,34,40)(H,41,42)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260656 (US9533985, 44) Show SMILES CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)ccn(C)c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C30H27F2N5O8S/c1-3-33-27(39)18-6-10-21(11-7-18)46(44,45)35-19-15-22(31)26(23(32)16-19)28(40)34-24(29(41)42)14-17-4-8-20(9-5-17)37-25(38)12-13-36(2)30(37)43/h4-13,15-16,24,35H,3,14H2,1-2H3,(H,33,39)(H,34,40)(H,41,42)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105175 (4-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-1,1-difluoro-...) Show SMILES CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(cc23)C(=O)NC)cc1 Show InChI InChI=1S/C23H26F2N2O5S/c1-3-29-8-9-30-10-11-31-15-23(24,25)16-4-6-17(7-5-16)32-19-13-27-14-21-18(19)12-20(33-21)22(28)26-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50029632 (3-Isopropoxy-5-methoxy-benzo[b]thiophene-2-carboxy...) Show SMILES COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1 Show InChI InChI=1S/C13H15NO3S/c1-7(2)17-11-9-6-8(16-3)4-5-10(9)18-12(11)13(14)15/h4-7H,1-3H3,(H2,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro potency against TNF alpha induced expresion of VCAM-1 on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105177 (4-[4-(3-Methyl-3H-imidazol-4-yl)-phenoxy]-thieno[2...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3cncn3C)cncc2s1 Show InChI InChI=1S/C19H16N4O2S/c1-20-19(24)17-7-14-16(9-21-10-18(14)26-17)25-13-5-3-12(4-6-13)15-8-22-11-23(15)2/h3-11H,1-2H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-1/Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM260662 (US9533985, 50) Show SMILES Cc1ccc(cn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C36H28F2N6O7S/c1-20-3-6-23(18-40-20)22-7-11-26(12-8-22)52(50,51)42-24-16-28(37)32(29(38)17-24)33(45)41-30(35(47)48)15-21-4-9-25(10-5-21)44-34(46)27-13-14-39-19-31(27)43(2)36(44)49/h3-14,16-19,30,42H,15H2,1-2H3,(H,41,45)(H,47,48)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express α4β1 integrin, to VCAM-1 w...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Vascular cell adhesion protein 1 (Homo sapiens (Human))	BDBM50105211 (4-(4-Hydroxymethyl-phenoxy)-thieno[2,3-c]pyridine-...) Show SMILES NC(=O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1 Show InChI InChI=1S/C15H12N2O3S/c16-15(19)13-5-11-12(6-17-7-14(11)21-13)20-10-3-1-9(8-18)2-4-10/h1-7,18H,8H2,(H2,16,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of VCAM-1 in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
					More data for this Ligand-Target Pair

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