Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50531247'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50531247 (CHEMBL4560923) Show SMILES [H][C@@]12O[C@]3(C[C@]4([H])[C@H](C)CC[C@@H](C(C)C)[C@@]14O)[C@H](c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O[C@]23C |r| Show InChI InChI=1S/C30H34O7/c1-15(2)20-11-10-16(3)21-12-29-23(17-8-6-5-7-9-17)22-25(34)18(13-31)24(33)19(14-32)26(22)36-28(29,4)27(37-29)30(20,21)35/h5-9,13-16,20-21,23,27,33-35H,10-12H2,1-4H3/t16-,20+,21-,23-,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA				J Nat Prod 82: 3267-3278 (2019) Article DOI: 10.1021/acs.jnatprod.9b00333 BindingDB Entry DOI: 10.7270/Q2PG1W6G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50531247 (CHEMBL4560923) Show SMILES [H][C@@]12O[C@]3(C[C@]4([H])[C@H](C)CC[C@@H](C(C)C)[C@@]14O)[C@H](c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O[C@]23C |r| Show InChI InChI=1S/C30H34O7/c1-15(2)20-11-10-16(3)21-12-29-23(17-8-6-5-7-9-17)22-25(34)18(13-31)24(33)19(14-32)26(22)36-28(29,4)27(37-29)30(20,21)35/h5-9,13-16,20-21,23,27,33-35H,10-12H2,1-4H3/t16-,20+,21-,23-,27+,28-,29-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA				J Nat Prod 82: 3267-3278 (2019) Article DOI: 10.1021/acs.jnatprod.9b00333 BindingDB Entry DOI: 10.7270/Q2PG1W6G
					More data for this Ligand-Target Pair