BDBM50166745 3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thiazol-4-yl]-benzonitrile::CHEMBL365172

SMILES: N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1

InChI Key: InChIKey=JTSBHZQGKKYLJJ-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 = 50166745   

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 A2b (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50166745 (3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccncc2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair