Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform' AND taxid = 9606   

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
Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50336545 ((1R,2S)-1-((2S,4R)-4-(8-bromo-2-(2-isobutyramidoth...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r| Show InChI InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of human PP2B				Antimicrob Agents Chemother 54: 4611-8 (2010) Article DOI: 10.1128/AAC.00787-10 BindingDB Entry DOI: 10.7270/Q2NP24Q7
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform (Homo sapiens (Human))	BDBM96001 (6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-tri...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-12-17(13-15-18)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of PP2B				J Med Chem 49: 1658-67 (2006) Article DOI: 10.1021/jm051033y BindingDB Entry DOI: 10.7270/Q20001QF
					More data for this Ligand-Target Pair