Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-8' and Ligand = 'BDBM50530126'   

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))	BDBM50530126 (CHEMBL4464311) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C39H67N11O10/c1-20(2)15-25-34(56)46-24(11-9-13-42-39(40)41)33(55)43-19-30(51)45-26(18-31(52)53)35(57)48-27(16-21(3)4)37(59)49(8)29(17-22(5)6)38(60)50-14-10-12-28(50)36(58)44-23(7)32(54)47-25/h20-29H,9-19H2,1-8H3,(H,43,55)(H,44,58)(H,45,51)(H,46,56)(H,47,54)(H,48,57)(H,52,53)(H4,40,41,42)/t23-,24-,25-,26-,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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))	BDBM50530126 (CHEMBL4464311) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C39H67N11O10/c1-20(2)15-25-34(56)46-24(11-9-13-42-39(40)41)33(55)43-19-30(51)45-26(18-31(52)53)35(57)48-27(16-21(3)4)37(59)49(8)29(17-22(5)6)38(60)50-14-10-12-28(50)36(58)44-23(7)32(54)47-25/h20-29H,9-19H2,1-8H3,(H,43,55)(H,44,58)(H,45,51)(H,46,56)(H,47,54)(H,48,57)(H,52,53)(H4,40,41,42)/t23-,24-,25-,26-,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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