BDBM273234 US10071079, Example 8

SMILES: CC(C)c1c([nH]c2ccc(cc12)C1CCN(C[N+]#[C-])CC1)-c1cc(C)c2ncnn2c1

InChI Key: InChIKey=YDLKVVQNKBILDK-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 273234   

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 7 (Homo sapiens (Human))	BDBM273234 (US10071079, Example 8) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(C[N+]#[C-])CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C25H28N6/c1-16(2)23-21-12-19(18-7-9-30(10-8-18)15-26-4)5-6-22(21)29-24(23)20-11-17(3)25-27-14-28-31(25)13-20/h5-6,11-14,16,18,29H,7-10,15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10071079 (2018) BindingDB Entry DOI: 10.7270/Q2VD71GV
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM273234 (US10071079, Example 8) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(C[N+]#[C-])CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C25H28N6/c1-16(2)23-21-12-19(18-7-9-30(10-8-18)15-26-4)5-6-22(21)29-24(23)20-11-17(3)25-27-14-28-31(25)13-20/h5-6,11-14,16,18,29H,7-10,15H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10071079 (2018) BindingDB Entry DOI: 10.7270/Q2VD71GV
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM273234 (US10071079, Example 8) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(C[N+]#[C-])CC1)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C25H28N6/c1-16(2)23-21-12-19(18-7-9-30(10-8-18)15-26-4)5-6-22(21)29-24(23)20-11-17(3)25-27-14-28-31(25)13-20/h5-6,11-14,16,18,29H,7-10,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10071079 (2018) BindingDB Entry DOI: 10.7270/Q2VD71GV
					More data for this Ligand-Target Pair