BDBM21188 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 40

SMILES: CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1

InChI Key: InChIKey=WVDKULPCDHAQIA-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 21188   

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 A2a (Homo sapiens (Human))	BDBM21188 (N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine receptor A2a				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21188 (N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience					Assay Description The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...				J Med Chem 51: 1719-29 (2008) Article DOI: 10.1021/jm701185v BindingDB Entry DOI: 10.7270/Q2W66J2J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21188 (N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine A1 receptor				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21188 (N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-7.69	n/a	n/a	n/a	n/a	n/a	7.4	22
Neuroscience					Assay Description The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...				J Med Chem 51: 1719-29 (2008) Article DOI: 10.1021/jm701185v BindingDB Entry DOI: 10.7270/Q2W66J2J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM21188 (N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 Show InChI InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair