BDBM50514141 CHEMBL4543348

SMILES: [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1

InChI Key: InChIKey=WDSXFPOBWVVWRC-UHFFFAOYSA-N

Data: 3 IC50  1 Kd

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 4 hits for monomerid = 50514141   

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))	BDBM50514141 (CHEMBL4543348) Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Boulder Curated by ChEMBL					Assay Description Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...				J Med Chem 62: 10221-10244 (2019) Article DOI: 10.1021/acs.jmedchem.9b01201
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50514141 (CHEMBL4543348) Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Boulder Curated by ChEMBL					Assay Description Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in ssRNA-induced NFkappaB production incubated for 16 hrs by quanti-blue SEA...				J Med Chem 62: 10221-10244 (2019) Article DOI: 10.1021/acs.jmedchem.9b01201
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50514141 (CHEMBL4543348) Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Colorado Boulder Curated by ChEMBL					Assay Description Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...				J Med Chem 62: 10221-10244 (2019) Article DOI: 10.1021/acs.jmedchem.9b01201
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50514141 (CHEMBL4543348) Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1 Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a
University of Colorado Boulder Curated by ChEMBL					Assay Description Binding affinity to human TLR8 (27 to 827 residues) expressed in HEK293 cells in presence of R848 by ITC analysis				J Med Chem 62: 10221-10244 (2019) Article DOI: 10.1021/acs.jmedchem.9b01201
					More data for this Ligand-Target Pair