BDBM35777 triazine-4-carboxamide, 9

SMILES: COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1

InChI Key: InChIKey=SVNKUTHNUMDRJT-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 35777   

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))	BDBM35777 (triazine-4-carboxamide, 9) Show SMILES COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 Show InChI InChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)	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	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM35777 (triazine-4-carboxamide, 9) Show SMILES COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 Show InChI InChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	202	-9.00	n/a	n/a	n/a	n/a	n/a	7.5	21
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair