Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin beta-7'   

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 beta-7 (Homo sapiens (Human))	BDBM50070619 ((S)-N-((1S,2R)-1-Carbamoyl-2-hydroxy-propyl)-3-{(S...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C24H31N5O7/c1-12(2)8-17(27-22(34)16-9-14-6-4-5-7-15(14)11-26-16)23(35)28-18(10-19(31)32)24(36)29-20(13(3)30)21(25)33/h4-7,9,11-13,17-18,20,30H,8,10H2,1-3H3,(H2,25,33)(H,27,34)(H,28,35)(H,29,36)(H,31,32)/t13-,17+,18+,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibition of alpha4-beta7 interaction to mucosal addressin cell adhesion molecule-1 (MAdCAM-1) was determined				J Med Chem 46: 5752-62 (2003) Article DOI: 10.1021/jm020487h BindingDB Entry DOI: 10.7270/Q2V1246T
					More data for this Ligand-Target Pair
Integrin beta-7 (Homo sapiens (Human))	BDBM50137078 (2-[4-benzyloxy-1-isobutoxymethyl-5a,9a-dimethoxy-(...) Show SMILES [H][C@]12O[C@]3(CCCC[C@@]3(OC)OC1[C@H](COCC(C)C)O[C@@H](OCC(O)=O)[C@@H]2OCc1ccccc1)OC Show InChI InChI=1S/C27H40O10/c1-18(2)14-32-16-20-22-23(37-27(31-4)13-9-8-12-26(27,30-3)36-22)24(25(35-20)34-17-21(28)29)33-15-19-10-6-5-7-11-19/h5-7,10-11,18,20,22-25H,8-9,12-17H2,1-4H3,(H,28,29)/t20-,22?,23-,24+,25+,26+,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibition of alpha4-beta7 interaction to mucosal addressin cell adhesion molecule-1 (MAdCAM-1) was determined				J Med Chem 46: 5752-62 (2003) Article DOI: 10.1021/jm020487h BindingDB Entry DOI: 10.7270/Q2V1246T
					More data for this Ligand-Target Pair