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SMILES: CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O

InChI Key: InChIKey=FHJATBIERQTCTN-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50320067   

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))	BDBM50320067 (1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c...) Show SMILES CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in NFkappaB-stimulated HEK293 cells assessed as induction of secreted alkaline phosphatase expression by rep...				J Med Chem 53: 4450-65 (2010) Article DOI: 10.1021/jm100358c BindingDB Entry DOI: 10.7270/Q2Q52PS6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50320067 (1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c...) Show SMILES CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) r...				US Patent US10487084 (2019) BindingDB Entry DOI: 10.7270/Q2P55QX7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50320067 (1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c...) Show SMILES CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Engineered human embryonic kidney blue cells (HEK-Blue™ TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) ...				US Patent US10919895 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50320067 (1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c...) Show SMILES CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Engineered human embryonic kidney blue cells (HEK-Blue™ TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) ...				US Patent US10508115 (2019) BindingDB Entry DOI: 10.7270/Q2K35X2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50320067 (1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c...) Show SMILES CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Companay US Patent					Assay Description Engineered human embryonic kidney blue cells (HEK-Blue™ TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) ...				US Patent US10981914 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50320067 (1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c...) Show SMILES CCNCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
Bristol_Myers Squibb Company US Patent					Assay Description Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) r...				US Patent US10457681 (2019) BindingDB Entry DOI: 10.7270/Q2N87D54
					More data for this Ligand-Target Pair				3D Structure (crystal)