Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'meulle' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423841 (CHEMBL1934635) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2c(C)cccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCCCCCCCCCCCCN |r| Show InChI InChI=1S/C44H69N7O7/c1-29(2)26-35(48-37(52)27-33-20-22-34(23-21-33)47-44(58)51-40-31(5)18-17-19-32(40)6)41(55)49-36(28-38(53)54)42(56)50-39(30(3)4)43(57)46-25-16-14-12-10-8-7-9-11-13-15-24-45/h17-23,29-30,35-36,39H,7-16,24-28,45H2,1-6H3,(H,46,57)(H,48,52)(H,49,55)(H,50,56)(H,53,54)(H2,47,51,58)/t35-,36-,39-/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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423845 (CHEMBL1934639) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(O)=O)c(CCC(=O)NCCCCCCCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)cc1 |r| Show InChI InChI=1S/C50H69N7O8S/c1-34-16-15-17-35(2)47(34)56-49(63)54-38-23-20-36(21-24-38)30-45(60)53-39-25-26-41(65-32-46(61)62)37(31-39)22-27-44(59)52-29-14-10-8-6-4-3-5-7-9-13-28-51-43(58)19-12-11-18-42-48-40(33-66-42)55-50(64)57-48/h15-17,20-21,23-26,31,40,42,48H,3-14,18-19,22,27-30,32-33H2,1-2H3,(H,51,58)(H,52,59)(H,53,60)(H,61,62)(H2,54,56,63)(H2,55,57,64)/t40-,42-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423840 (CHEMBL1934634) Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2c(C)cccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C40H52N6O7/c1-24(2)21-31(43-33(47)22-29-15-17-30(18-16-29)42-40(53)46-36-26(5)11-10-12-27(36)6)37(50)44-32(23-34(48)49)38(51)45-35(25(3)4)39(52)41-20-19-28-13-8-7-9-14-28/h7-18,24-25,31-32,35H,19-23H2,1-6H3,(H,41,52)(H,43,47)(H,44,50)(H,45,51)(H,48,49)(H2,42,46,53)/t31-,32-,35-/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	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423842 (CHEMBL1934636) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)OC(C)(C)C)c(CCC(O)=O)c2)cc1 Show InChI InChI=1S/C32H37N3O7/c1-20-7-6-8-21(2)30(20)35-31(40)34-24-12-9-22(10-13-24)17-27(36)33-25-14-15-26(23(18-25)11-16-28(37)38)41-19-29(39)42-32(3,4)5/h6-10,12-15,18H,11,16-17,19H2,1-5H3,(H,33,36)(H,37,38)(H2,34,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423839 (CHEMBL1934744) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)NCCCCCCCCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 |r| Show InChI InChI=1S/C39H58N6O4S/c1-28-16-15-17-29(2)36(28)44-38(48)42-31-22-20-30(21-23-31)26-35(47)41-25-14-10-8-6-4-3-5-7-9-13-24-40-34(46)19-12-11-18-33-37-32(27-50-33)43-39(49)45-37/h15-17,20-23,32-33,37H,3-14,18-19,24-27H2,1-2H3,(H,40,46)(H,41,47)(H2,42,44,48)(H2,43,45,49)/t32-,33-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423843 (CHEMBL1934637) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(O)=O)c(CCC(=O)NCCCCCCCCCCCCN)c2)cc1 Show InChI InChI=1S/C40H55N5O6/c1-29-14-13-15-30(2)39(29)45-40(50)44-33-19-16-31(17-20-33)26-37(47)43-34-21-22-35(51-28-38(48)49)32(27-34)18-23-36(46)42-25-12-10-8-6-4-3-5-7-9-11-24-41/h13-17,19-22,27H,3-12,18,23-26,28,41H2,1-2H3,(H,42,46)(H,43,47)(H,48,49)(H2,44,45,50)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423838 (CHEMBL1934743) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)NCCCCCCCCCCCCN)cc1 Show InChI InChI=1S/C29H44N4O2/c1-23-14-13-15-24(2)28(23)33-29(35)32-26-18-16-25(17-19-26)22-27(34)31-21-12-10-8-6-4-3-5-7-9-11-20-30/h13-19H,3-12,20-22,30H2,1-2H3,(H,31,34)(H2,32,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423844 (CHEMBL1934638) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(O)=O)c(CCC(=O)NCCOCCOCCOCCOCCOCCN)c2)cc1 Show InChI InChI=1S/C40H55N5O11/c1-29-4-3-5-30(2)39(29)45-40(50)44-33-9-6-31(7-10-33)26-37(47)43-34-11-12-35(56-28-38(48)49)32(27-34)8-13-36(46)42-15-17-52-19-21-54-23-25-55-24-22-53-20-18-51-16-14-41/h3-7,9-12,27H,8,13-26,28,41H2,1-2H3,(H,42,46)(H,43,47)(H,48,49)(H2,44,45,50)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50423846 (CHEMBL1934742) Show SMILES Cc1cccc(C)c1NC(=O)Nc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C17H18N2O3/c1-11-4-3-5-12(2)16(11)19-17(22)18-14-8-6-13(7-9-14)10-15(20)21/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain (UCL) Curated by ChEMBL					Assay Description Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis				Bioorg Med Chem Lett 22: 586-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.078 BindingDB Entry DOI: 10.7270/Q22808WZ
					More data for this Ligand-Target Pair