Compile Data Set for Download or QSAR

Found 153 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1'   

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/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0770	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0980	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260659 (US9533985, 47) Show SMILES CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-n5cncn5)cc4F)C(O)=O)cc3)c(=O)c2c1 |r| Show InChI InChI=1S/C35H30F2N8O7S/c1-42(2)24-10-13-30-26(17-24)33(47)45(35(50)43(30)3)23-6-4-20(5-7-23)14-29(34(48)49)40-32(46)31-27(36)15-21(16-28(31)37)41-53(51,52)25-11-8-22(9-12-25)44-19-38-18-39-44/h4-13,15-19,29,41H,14H2,1-3H3,(H,40,46)(H,48,49)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260687 (US9533985, 75) Show SMILES Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-c5ccncc5)cc4F)C(O)=O)cc3)c(=O)c12 |r| Show InChI InChI=1S/C34H27F2N7O7S/c1-41-18-38-30-29(41)32(45)43(34(48)42(30)2)23-7-3-19(4-8-23)15-27(33(46)47)39-31(44)28-25(35)16-22(17-26(28)36)40-51(49,50)24-9-5-20(6-10-24)21-11-13-37-14-12-21/h3-14,16-18,27,40H,15H2,1-2H3,(H,39,44)(H,46,47)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260686 (US9533985, 74) Show SMILES Cc1cc(ccn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3ncn(C)c3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C35H29F2N7O7S/c1-19-14-22(12-13-38-19)21-6-10-25(11-7-21)52(50,51)41-23-16-26(36)29(27(37)17-23)32(45)40-28(34(47)48)15-20-4-8-24(9-5-20)44-33(46)30-31(39-18-42(30)2)43(3)35(44)49/h4-14,16-18,28,41H,15H2,1-3H3,(H,40,45)(H,47,48)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260682 (US9533985, 70) Show SMILES Cc1cc(cc(C)n1)-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/C37H30F2N6O7S/c1-20-14-24(15-21(2)41-20)23-6-10-27(11-7-23)53(51,52)43-25-17-29(38)33(30(39)18-25)34(46)42-31(36(48)49)16-22-4-8-26(9-5-22)45-35(47)28-12-13-40-19-32(28)44(3)37(45)50/h4-15,17-19,31,43H,16H2,1-3H3,(H,42,46)(H,48,49)/t31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260661 (US9533985, 49) Show SMILES Cc1cc(ccn1)-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/c1-20-15-23(11-14-40-20)22-5-9-26(10-6-22)52(50,51)42-24-17-28(37)32(29(38)18-24)33(45)41-30(35(47)48)16-21-3-7-25(8-4-21)44-34(46)27-12-13-39-19-31(27)43(2)36(44)49/h3-15,17-19,30,42H,16H2,1-2H3,(H,41,45)(H,47,48)/t30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260679 (US9533985, 67) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C35H26F2N6O7S/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/h2-15,17-19,29,41H,16H2,1H3,(H,40,44)(H,46,47)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260677 (US9533985, 65) Show SMILES Cc1cnccc1-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/c1-20-18-39-13-11-26(20)22-5-9-25(10-6-22)52(50,51)42-23-16-28(37)32(29(38)17-23)33(45)41-30(35(47)48)15-21-3-7-24(8-4-21)44-34(46)27-12-14-40-19-31(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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM65394 (US9533985, 159 | US9533985, 40) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4ncccn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C30H23F2N7O7S/c1-38-12-9-25(40)39(30(38)44)20-6-3-17(4-7-20)13-23(29(42)43)36-28(41)26-21(31)14-19(15-22(26)32)37-47(45,46)24-8-5-18(16-35-24)27-33-10-2-11-34-27/h2-12,14-16,23,37H,13H2,1H3,(H,36,41)(H,42,43)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260690 (US9533985, 78) Show SMILES COc1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)C(=O)NC5CC5)cc4F)C(O)=O)cc3)c(=O)c2c1 |r| Show InChI InChI=1S/C36H31F2N5O9S/c1-42-30-14-11-24(52-2)18-26(30)34(46)43(36(42)49)23-9-3-19(4-10-23)15-29(35(47)48)40-33(45)31-27(37)16-22(17-28(31)38)41-53(50,51)25-12-5-20(6-13-25)32(44)39-21-7-8-21/h3-6,9-14,16-18,21,29,41H,7-8,15H2,1-2H3,(H,39,44)(H,40,45)(H,47,48)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260675 (US9533985, 63) Show SMILES Cn1ccc(=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/C30H23F2N7O7S/c1-38-9-8-26(40)39(30(38)44)21-5-2-17(3-6-21)10-24(29(42)43)36-28(41)27-22(31)11-20(12-23(27)32)37-47(45,46)25-7-4-18(15-35-25)19-13-33-16-34-14-19/h2-9,11-16,24,37H,10H2,1H3,(H,36,41)(H,42,43)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.830	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260655 (US9533985, 43) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4cccc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C34H26F2N6O7S/c1-40-29-19-37-13-12-25(29)32(44)42(34(40)47)23-6-4-20(5-7-23)16-28(33(45)46)38-31(43)30-26(35)17-21(18-27(30)36)39-50(48,49)24-10-8-22(9-11-24)41-14-2-3-15-41/h2-15,17-19,28,39H,16H2,1H3,(H,38,43)(H,45,46)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260685 (US9533985, 73) Show SMILES Cn1ccc(=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/C28H22F2N8O7S/c1-36-10-8-24(39)38(28(36)43)18-4-2-16(3-5-18)12-22(27(41)42)33-26(40)25-20(29)13-17(14-21(25)30)34-46(44,45)23-7-6-19(15-31-23)37-11-9-32-35-37/h2-11,13-15,22,34H,12H2,1H3,(H,33,40)(H,41,42)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.950	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM65383 (BDBM260657 | US9533985, 157) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H27F2N5O8S/c1-37-13-12-26(39)38(31(37)44)21-8-2-17(3-9-21)14-25(30(42)43)35-29(41)27-23(32)15-20(16-24(27)33)36-47(45,46)22-10-4-18(5-11-22)28(40)34-19-6-7-19/h2-5,8-13,15-16,19,25,36H,6-7,14H2,1H3,(H,34,40)(H,35,41)(H,42,43)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260670 (US9533985, 58) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4ccnn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C29H23F2N7O7S/c1-36-12-10-25(39)38(29(36)43)20-4-2-17(3-5-20)14-24(28(41)42)33-27(40)26-22(30)15-18(16-23(26)31)34-46(44,45)21-8-6-19(7-9-21)37-13-11-32-35-37/h2-13,15-16,24,34H,14H2,1H3,(H,33,40)(H,41,42)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260672 (US9533985, 60) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H24F2N6O7S/c1-38-11-10-27(40)39(31(38)44)22-6-2-18(3-7-22)12-26(30(42)43)36-29(41)28-24(32)13-21(14-25(28)33)37-47(45,46)23-8-4-19(5-9-23)20-15-34-17-35-16-20/h2-11,13-17,26,37H,12H2,1H3,(H,36,41)(H,42,43)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260658 (US9533985, 46) Show SMILES COc1cc2c(cn1)n(C)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)cc1)c2=O |r| Show InChI InChI=1S/C35H27F2N7O8S/c1-43-28-18-40-29(52-2)17-24(28)33(46)44(35(43)49)22-8-4-19(5-9-22)14-27(34(47)48)41-32(45)30-25(36)15-21(16-26(30)37)42-53(50,51)23-10-6-20(7-11-23)31-38-12-3-13-39-31/h3-13,15-18,27,42H,14H2,1-2H3,(H,41,45)(H,47,48)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260678 (US9533985, 66) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccoc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C34H25F2N5O8S/c1-40-29-17-37-12-10-25(29)32(43)41(34(40)46)23-6-2-19(3-7-23)14-28(33(44)45)38-31(42)30-26(35)15-22(16-27(30)36)39-50(47,48)24-8-4-20(5-9-24)21-11-13-49-18-21/h2-13,15-18,28,39H,14H2,1H3,(H,38,42)(H,44,45)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260684 (US9533985, 72) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4nccn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C28H22F2N8O7S/c1-36-11-8-24(39)37(28(36)43)18-4-2-16(3-5-18)12-22(27(41)42)34-26(40)25-20(29)13-17(14-21(25)30)35-46(44,45)23-7-6-19(15-31-23)38-32-9-10-33-38/h2-11,13-15,22,35H,12H2,1H3,(H,34,40)(H,41,42)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260676 (US9533985, 64) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4cccc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H25F2N5O7S/c1-36-15-12-27(39)38(31(36)43)22-6-4-19(5-7-22)16-26(30(41)42)34-29(40)28-24(32)17-20(18-25(28)33)35-46(44,45)23-10-8-21(9-11-23)37-13-2-3-14-37/h2-15,17-18,26,35H,16H2,1H3,(H,34,40)(H,41,42)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260688 (US9533985, 76) Show SMILES Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-n5cccc5)cc4F)C(O)=O)cc3)c(=O)c12 |r| Show InChI InChI=1S/C33H27F2N7O7S/c1-39-18-36-29-28(39)31(44)42(33(47)40(29)2)22-7-5-19(6-8-22)15-26(32(45)46)37-30(43)27-24(34)16-20(17-25(27)35)38-50(48,49)23-11-9-21(10-12-23)41-13-3-4-14-41/h3-14,16-18,26,38H,15H2,1-2H3,(H,37,43)(H,45,46)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM65398 (BDBM260664 | US9533985, 177) Show SMILES CNCc1ccc(cc1)S(=O)(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C32H29FN6O7S/c1-34-17-20-5-10-23(11-6-20)47(45,46)37-21-7-12-24(26(33)16-21)29(40)36-27(31(42)43)15-19-3-8-22(9-4-19)39-30(41)25-13-14-35-18-28(25)38(2)32(39)44/h3-14,16,18,27,34,37H,15,17H2,1-2H3,(H,36,40)(H,42,43)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM65399 (US9533985, 178 | US9533985, 53) Show SMILES Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccsc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C34H25F2N5O7S2/c1-40-29-17-37-12-10-25(29)32(43)41(34(40)46)23-6-2-19(3-7-23)14-28(33(44)45)38-31(42)30-26(35)15-22(16-27(30)36)39-50(47,48)24-8-4-20(5-9-24)21-11-13-49-18-21/h2-13,15-18,28,39H,14H2,1H3,(H,38,42)(H,44,45)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	9.6	4
EA Pharma Co., Ltd. US Patent					Assay Description The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260687 (US9533985, 75) Show SMILES Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cc5)-c5ccncc5)cc4F)C(O)=O)cc3)c(=O)c12 |r| Show InChI InChI=1S/C34H27F2N7O7S/c1-41-18-38-30-29(41)32(45)43(34(48)42(30)2)23-7-3-19(4-8-23)15-27(33(46)47)39-31(44)28-25(35)16-22(17-26(28)36)40-51(49,50)24-9-5-20(6-10-24)21-11-13-37-14-12-21/h3-14,16-18,27,40H,15H2,1-2H3,(H,39,44)(H,46,47)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260670 (US9533985, 58) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-n4ccnn4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C29H23F2N7O7S/c1-36-12-10-25(39)38(29(36)43)20-4-2-17(3-5-20)14-24(28(41)42)33-27(40)26-22(30)15-18(16-23(26)31)34-46(44,45)21-8-6-19(7-9-21)37-13-11-32-35-37/h2-13,15-16,24,34H,14H2,1H3,(H,33,40)(H,41,42)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-Homo sapiens (Human))	BDBM260672 (US9533985, 60) Show SMILES Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C31H24F2N6O7S/c1-38-11-10-27(40)39(31(38)44)22-6-2-18(3-7-22)12-26(30(42)43)36-29(41)28-24(32)13-21(14-25(28)33)37-47(45,46)23-8-4-19(5-9-23)20-15-34-17-35-16-20/h2-11,13-17,26,37H,12H2,1H3,(H,36,41)(H,42,43)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair
Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1 (Mus musculus (Mouse)-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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	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 B cell line, RPMI-8866, which is known to express α4β7 integrin, to MAdCA...				US Patent US9533985 (2017) BindingDB Entry DOI: 10.7270/Q20C4TQ8
					More data for this Ligand-Target Pair

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