Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-6' and Ligand = 'BDBM50530097'   

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-6 (Homo sapiens (Human))	BDBM50530097 (CHEMBL4447615) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O |r| Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-38(64)50-25(7)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)52-26(11-8-14-46-43(44)45)36(62)47-20-32(57)51-29(19-33(58)59)39(65)54-28(18-22(3)4)37(63)49-23(5)34(60)48-24(6)35(61)53-27/h21-31H,8-20H2,1-7H3,(H,47,62)(H,48,60)(H,49,63)(H,50,64)(H,51,57)(H,52,66)(H,53,61)(H,54,65)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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 alphavbeta6 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-6 (Homo sapiens (Human))	BDBM50530097 (CHEMBL4447615) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O |r| Show InChI InChI=1S/C43H71N13O12/c1-21(2)17-27-38(64)50-25(7)41(67)56-16-10-13-31(56)42(68)55-15-9-12-30(55)40(66)52-26(11-8-14-46-43(44)45)36(62)47-20-32(57)51-29(19-33(58)59)39(65)54-28(18-22(3)4)37(63)49-23(5)34(60)48-24(6)35(61)53-27/h21-31H,8-20H2,1-7H3,(H,47,62)(H,48,60)(H,49,63)(H,50,64)(H,51,57)(H,52,66)(H,53,61)(H,54,65)(H,58,59)(H4,44,45,46)/t23-,24-,25-,26-,27-,28-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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 alphavbeta6 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