BDBM307522 (S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzyl)(2,2-difluoroethyl)amino)acetic acid::US10150743, Example 3::US10562861, Ex. No. 3

SMILES: CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC

InChI Key: InChIKey=NZMIALRJUDGDME-SFHVURJKSA-N

Data: 2 IC50  4 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 6 hits for monomerid = 307522   

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))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description TLR8/NF-kB/SEAPorter HEK 293 Cell Line (Imgenex Corporation) is a stably co-transfected cell line which expresses full-length human TLR8 and the secr...				US Patent US10150743 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K6N
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description TLR8/NF-kB/SEAPorter™ HEK 293 Cell Line (Imgenex Corporation) is a stably co-transfected cell line which expresses full-length human TLR8 and the sec...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-con...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM307522 ((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r| Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. US Patent					Assay Description Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...				US Patent US10562861 (2020) BindingDB Entry DOI: 10.7270/Q22F7QTT
					More data for this Ligand-Target Pair