null

SMILES: CC1(C)CC[C@]2(CC(=O)NC(Cc3cccc(Cl)c3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

InChI Key: InChIKey=LTRYLUWOOZHGTA-WGLDCMSFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50487813   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50487813 (CHEMBL2263112) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3cccc(Cl)c3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)17-19-40(24-33(44)42-29(34(45)46)22-25-9-8-10-26(41)21-25)20-18-38(6)27(28(40)23-35)11-12-31-37(5)15-14-32(43)36(3,4)30(37)13-16-39(31,38)7/h8-11,21,28-32,43H,12-20,22-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50487813 (CHEMBL2263112) Show SMILES CC1(C)CC[C@]2(CC(=O)NC(Cc3cccc(Cl)c3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:27| Show InChI InChI=1S/C40H58ClNO4/c1-35(2)17-19-40(24-33(44)42-29(34(45)46)22-25-9-8-10-26(41)21-25)20-18-38(6)27(28(40)23-35)11-12-31-37(5)15-14-32(43)36(3,4)30(37)13-16-39(31,38)7/h8-11,21,28-32,43H,12-20,22-24H2,1-7H3,(H,42,44)(H,45,46)/t28-,29?,30-,31+,32-,37-,38+,39+,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PTP1B (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9529-5 BindingDB Entry DOI: 10.7270/Q2F76GFZ
					More data for this Ligand-Target Pair