Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50013164   

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-5/beta-1 (Homo sapiens (Human))	BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier I Curated by ChEMBL					Assay Description Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1				Bioorg Med Chem Lett 13: 1561-4 (2003) BindingDB Entry DOI: 10.7270/Q2BR8RK2
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50127296 ((R)-3-[(S)-5-(3-Guanidino-propylcarbamoyl)-2-oxo-1...) Show SMILES NC(=N)NCCCNC(=O)[C@H]1CCC(=O)N2C[C@H](CCC(O)=O)[C@H]2C1 Show InChI InChI=1S/C16H27N5O4/c17-16(18)20-7-1-6-19-15(25)10-2-4-13(22)21-9-11(12(21)8-10)3-5-14(23)24/h10-12H,1-9H2,(H,19,25)(H,23,24)(H4,17,18,20)/t10-,11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier I Curated by ChEMBL					Assay Description Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1				Bioorg Med Chem Lett 13: 1561-4 (2003) BindingDB Entry DOI: 10.7270/Q2BR8RK2
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50127297 (3-[5-(3-Guanidino-propylcarbamoyl)-2-oxo-1-aza-bic...) Show SMILES NC(=N)NCCCNC(=O)C1CCC(=O)N2CC(CCC(O)=O)C2C1 Show InChI InChI=1S/C16H27N5O4/c17-16(18)20-7-1-6-19-15(25)10-2-4-13(22)21-9-11(12(21)8-10)3-5-14(23)24/h10-12H,1-9H2,(H,19,25)(H,23,24)(H4,17,18,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier I Curated by ChEMBL					Assay Description Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1				Bioorg Med Chem Lett 13: 1561-4 (2003) BindingDB Entry DOI: 10.7270/Q2BR8RK2
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50127298 ((R)-3-[(R)-5-(3-Guanidino-propylcarbamoyl)-2-oxo-1...) Show SMILES NC(=N)NCCCNC(=O)[C@@H]1CCC(=O)N2C[C@H](CCC(O)=O)[C@H]2C1 Show InChI InChI=1S/C16H27N5O4/c17-16(18)20-7-1-6-19-15(25)10-2-4-13(22)21-9-11(12(21)8-10)3-5-14(23)24/h10-12H,1-9H2,(H,19,25)(H,23,24)(H4,17,18,20)/t10-,11+,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier I Curated by ChEMBL					Assay Description Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1				Bioorg Med Chem Lett 13: 1561-4 (2003) BindingDB Entry DOI: 10.7270/Q2BR8RK2
					More data for this Ligand-Target Pair