BDBM191798 US9187428, 26

SMILES: CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N

InChI Key: InChIKey=FYESXGROCPLGGI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 191798   

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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM191798 (US9187428, 26) Show SMILES CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N Show InChI InChI=1S/C23H20N6O2S/c1-3-31-16-6-4-15(5-7-16)20-17(11-24)21(26)29-23(18(20)12-25)32-13-14-8-9-28-19(10-14)22(30)27-2/h4-10H,3,13H2,1-2H3,(H2,26,29)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.200	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...				US Patent US9187428 (2015) BindingDB Entry DOI: 10.7270/Q29Z93Q4
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM191798 (US9187428, 26) Show SMILES CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N Show InChI InChI=1S/C23H20N6O2S/c1-3-31-16-6-4-15(5-7-16)20-17(11-24)21(26)29-23(18(20)12-25)32-13-14-8-9-28-19(10-14)22(30)27-2/h4-10H,3,13H2,1-2H3,(H2,26,29)(H,27,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	243	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...				US Patent US9187428 (2015) BindingDB Entry DOI: 10.7270/Q29Z93Q4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM191798 (US9187428, 26) Show SMILES CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N Show InChI InChI=1S/C23H20N6O2S/c1-3-31-16-6-4-15(5-7-16)20-17(11-24)21(26)29-23(18(20)12-25)32-13-14-8-9-28-19(10-14)22(30)27-2/h4-10H,3,13H2,1-2H3,(H2,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	65	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...				US Patent US9187428 (2015) BindingDB Entry DOI: 10.7270/Q29Z93Q4
					More data for this Ligand-Target Pair