BDBM21213 2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine::2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine::2-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]pyridine::CHEMBL260311::triazole-dipyridine, A

SMILES: c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1

InChI Key: InChIKey=TUASFNZQWJGIHZ-UHFFFAOYSA-N

Data: 6 KI  2 IC50  1 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 9 hits for monomerid = 21213   

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 A3 (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 48: 8253-60 (2005) Article DOI: 10.1021/jm050792d BindingDB Entry DOI: 10.7270/Q2RF5VTX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...				J Med Chem 51: 1764-70 (2008) Article DOI: 10.1021/jm701159t BindingDB Entry DOI: 10.7270/Q2MP51JK
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26Q1VPD
					More data for this Ligand-Target Pair
RNA polymerase beta subunit (EC 2.7.7.6) (Escherichia coli)	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23N21T1
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM21213 (2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...) Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8
					More data for this Ligand-Target Pair