Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-8' and Ligand = 'BDBM50530103'   

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))	BDBM50530103 (CHEMBL4546687) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=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/C36H59N11O10/c1-19(2)14-22-31(53)44-21(8-5-11-39-36(37)38)30(52)40-17-27(48)43-23(16-29(50)51)32(54)45-24(15-20(3)4)34(56)47-13-7-10-26(47)35(57)46-12-6-9-25(46)33(55)41-18-28(49)42-22/h19-26H,5-18H2,1-4H3,(H,40,52)(H,41,55)(H,42,49)(H,43,48)(H,44,53)(H,45,54)(H,50,51)(H4,37,38,39)/t21-,22-,23-,24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	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))	BDBM50530103 (CHEMBL4546687) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=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/C36H59N11O10/c1-19(2)14-22-31(53)44-21(8-5-11-39-36(37)38)30(52)40-17-27(48)43-23(16-29(50)51)32(54)45-24(15-20(3)4)34(56)47-13-7-10-26(47)35(57)46-12-6-9-25(46)33(55)41-18-28(49)42-22/h19-26H,5-18H2,1-4H3,(H,40,52)(H,41,55)(H,42,49)(H,43,48)(H,44,53)(H,45,54)(H,50,51)(H4,37,38,39)/t21-,22-,23-,24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	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