Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'TYR_PHOSPHATASE_2 domain-containing protein' and Ligand = 'BDBM50509487'   

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
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50509487 (CHEMBL4471162) Show SMILES CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)\C=C(/C)\C=C(/C)\C=C\C=C\C(=O)N1CCCC(O)C1=O |r| Show InChI InChI=1S/C29H47NO4/c1-7-21(2)15-24(5)18-26(20-31)19-25(6)17-23(4)16-22(3)11-8-9-13-28(33)30-14-10-12-27(32)29(30)34/h8-9,11,13,16-17,21,24-27,31-32H,7,10,12,14-15,18-20H2,1-6H3/b11-8+,13-9+,22-16+,23-17+/t21-,24-,25-,26-,27?/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Institute of Microbiology Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using p-nitrophenyl phosphate as s...				J Nat Prod 82: 3440-3449 (2019) Article DOI: 10.1021/acs.jnatprod.9b00834 BindingDB Entry DOI: 10.7270/Q29C71QP
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50509487 (CHEMBL4471162) Show SMILES CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)\C=C(/C)\C=C(/C)\C=C\C=C\C(=O)N1CCCC(O)C1=O |r| Show InChI InChI=1S/C29H47NO4/c1-7-21(2)15-24(5)18-26(20-31)19-25(6)17-23(4)16-22(3)11-8-9-13-28(33)30-14-10-12-27(32)29(30)34/h8-9,11,13,16-17,21,24-27,31-32H,7,10,12,14-15,18-20H2,1-6H3/b11-8+,13-9+,22-16+,23-17+/t21-,24-,25-,26-,27?/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangdong Institute of Microbiology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using 6,8-difluoromethylumbelliferyl phosphate as ...				J Nat Prod 82: 3440-3449 (2019) Article DOI: 10.1021/acs.jnatprod.9b00834 BindingDB Entry DOI: 10.7270/Q29C71QP
					More data for this Ligand-Target Pair