BDBM50386535 CHEMBL2048219::US9676818, 11h

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

InChI Key: InChIKey=NZWVESLSBIZISR-VXKWHMMOSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386535   

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 (TLR2) (Homo sapiens (Human))	BDBM50386535 (CHEMBL2048219 | US9676818, 11h) Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C27H47F3N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(34)39-17-18-40-20-22(32-26(37)27(28,29)30)24(35)31-21(19-33)25(36)38-2/h21-22,33H,3-20H2,1-2H3,(H,31,35)(H,32,37)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	4.45E+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 (TLR2) (Homo sapiens (Human))	BDBM50386535 (CHEMBL2048219 | US9676818, 11h) Show SMILES CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C27H47F3N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(34)39-17-18-40-20-22(32-26(37)27(28,29)30)24(35)31-21(19-33)25(36)38-2/h21-22,33H,3-20H2,1-2H3,(H,31,35)(H,32,37)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.5	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