null

SMILES: C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1

InChI Key: InChIKey=PWBDDGJWWXNDJC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50252291   

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))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK293 cells assessed as inhibition of CL264-induced NF-kappaB activation after 24 hrs by spectrophoto...				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at TLR9 in human plasmacytoid dendritic cells assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK293 cells assessed as inhibition of CpGB-induced NF-kappaB activation after 24 hrs by spectrophotom...				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50252291 (CHEMBL4073879) Show SMILES C(COc1ccc2nc(oc2c1)-c1cccc(c1)C1=CCNCC1)CN1CCCC1 |t:21| Show InChI InChI=1S/C25H29N3O2/c1-2-14-28(13-1)15-4-16-29-22-7-8-23-24(18-22)30-25(27-23)21-6-3-5-20(17-21)19-9-11-26-12-10-19/h3,5-9,17-18,26H,1-2,4,10-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, 4 Raja S. C. Mullick Road, Kolkata 700032, WB, India. Curated by ChEMBL					Assay Description Antagonist activity at TLR9 in human PBMC assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA				Eur J Med Chem 134: 334-347 (2017) Article DOI: 10.1016/j.ejmech.2017.03.086 BindingDB Entry DOI: 10.7270/Q2057JCJ
					More data for this Ligand-Target Pair