null

SMILES: CCCCCCCCCCCCCCCC(=O)OCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC

InChI Key: InChIKey=HUGFDRVKRYEYFN-DQEYMECFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386536   

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
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50386536 (CHEMBL2048220 | US9676818, 16) Show SMILES CCCCCCCCCCCCCCCC(=O)OCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C28H52N2O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(33)37-19-17-20-38-22-25(29-23(2)32)27(34)30-24(21-31)28(35)36-3/h24-25,31H,4-22H2,1-3H3,(H,29,32)(H,30,34)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The induction of NF-κB in a TLR2-specific reporter gene assay was quantified using HEK-BLUE™ cells as previously described (Wu, W. et al., ...				US Patent US9676818 (2017) BindingDB Entry DOI: 10.7270/Q2TB1539
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50386536 (CHEMBL2048220 | US9676818, 16) Show SMILES CCCCCCCCCCCCCCCC(=O)OCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C28H52N2O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(33)37-19-17-20-38-22-25(29-23(2)32)27(34)30-24(21-31)28(35)36-3/h24-25,31H,4-22H2,1-3H3,(H,29,32)(H,30,34)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.52	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR2 expressed in HEK293 cells assessed as NFkappaB translocation after 12 hrs by secretory alkaline phosphatase reporter g...				J Med Chem 55: 3353-63 (2012) Article DOI: 10.1021/jm3000533 BindingDB Entry DOI: 10.7270/Q2JD4XT5
					More data for this Ligand-Target Pair