BDBM191828 US9187428, 56

SMILES: CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N

InChI Key: InChIKey=SDZLWPSMPSPGFW-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 = 191828   

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))	BDBM191828 (US9187428, 56) Show SMILES CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N |w:10.11| Show InChI InChI=1S/C24H19F3N6O2S/c1-13(15-7-8-32-19(9-15)22(34)31-2)36-23-18(11-29)20(17(10-28)21(30)33-23)14-3-5-16(6-4-14)35-12-24(25,26)27/h3-9,13H,12H2,1-2H3,(H2,30,33)(H,31,34)	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	2.80	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))	BDBM191828 (US9187428, 56) Show SMILES CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N |w:10.11| Show InChI InChI=1S/C24H19F3N6O2S/c1-13(15-7-8-32-19(9-15)22(34)31-2)36-23-18(11-29)20(17(10-28)21(30)33-23)14-3-5-16(6-4-14)35-12-24(25,26)27/h3-9,13H,12H2,1-2H3,(H2,30,33)(H,31,34)	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	3.00E+3	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))	BDBM191828 (US9187428, 56) Show SMILES CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N |w:10.11| Show InChI InChI=1S/C24H19F3N6O2S/c1-13(15-7-8-32-19(9-15)22(34)31-2)36-23-18(11-29)20(17(10-28)21(30)33-23)14-3-5-16(6-4-14)35-12-24(25,26)27/h3-9,13H,12H2,1-2H3,(H2,30,33)(H,31,34)	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	3.00E+3	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