BDBM35786 pyrimidine-4-carboxamide, 27

SMILES: Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1

InChI Key: InChIKey=LJKPWPQGCKKQKY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 35786   

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))	BDBM35786 (pyrimidine-4-carboxamide, 27) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	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))	BDBM35786 (pyrimidine-4-carboxamide, 27) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	222	-8.95	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM35786 (pyrimidine-4-carboxamide, 27) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	896	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 A2b (Homo sapiens (Human))	BDBM35786 (pyrimidine-4-carboxamide, 27) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.09E+3	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