Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-8' and Ligand = 'BDBM50530121'   

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-V/beta-8 (Homo sapiens (Human))	BDBM50530121 (CHEMBL4437241) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C37H62N12O10/c1-20(2)17-25-35(58)49-16-8-12-27(49)36(59)48-15-7-11-26(48)34(57)43-21(3)30(53)45-23(9-4-5-13-38)32(55)46-22(10-6-14-41-37(39)40)31(54)42-19-28(50)44-24(18-29(51)52)33(56)47-25/h20-27H,4-19,38H2,1-3H3,(H,42,54)(H,43,57)(H,44,50)(H,45,53)(H,46,55)(H,47,56)(H,51,52)(H4,39,40,41)/t21-,22-,23-,24-,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-8 (Homo sapiens (Human))	BDBM50530121 (CHEMBL4437241) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C37H62N12O10/c1-20(2)17-25-35(58)49-16-8-12-27(49)36(59)48-15-7-11-26(48)34(57)43-21(3)30(53)45-23(9-4-5-13-38)32(55)46-22(10-6-14-41-37(39)40)31(54)42-19-28(50)44-24(18-29(51)52)33(56)47-25/h20-27H,4-19,38H2,1-3H3,(H,42,54)(H,43,57)(H,44,50)(H,45,53)(H,46,55)(H,47,56)(H,51,52)(H4,39,40,41)/t21-,22-,23-,24-,25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay				J Med Chem 62: 2024-2037 (2019) Article DOI: 10.1021/acs.jmedchem.8b01588 BindingDB Entry DOI: 10.7270/Q26T0R53
					More data for this Ligand-Target Pair