Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/Integrin beta-7/Mucosal addressin cell adhesion molecule 1' and Ligand = 'BDBM260683'   

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))	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))	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