BDBM35791 pyrimidine-4-carboxamide, 63

SMILES: Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1

InChI Key: InChIKey=ZOBXTLODGZOFPM-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 = 35791   

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))	BDBM35791 (pyrimidine-4-carboxamide, 63) Show SMILES Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1 Show InChI InChI=1S/C17H14ClN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23)	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	31	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))	BDBM35791 (pyrimidine-4-carboxamide, 63) Show SMILES Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1 Show InChI InChI=1S/C17H14ClN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	408	-8.59	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