BDBM50312953 CHEMBL1082171::N-(2-(thiazol-5-yl)-3,4'-bipyridin-6-yl)cyclopropanecarboxamide

SMILES: O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1

InChI Key: InChIKey=RBIFOILYUCIGQJ-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 = 50312953   

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))	BDBM50312953 (CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1 Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50312953 (CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1 Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50312953 (CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1 Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50312953 (CHEMBL1082171 | N-(2-(thiazol-5-yl)-3,4'-bipyridin...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1cncs1)C1CC1 Show InChI InChI=1S/C17H14N4OS/c22-17(12-1-2-12)21-15-4-3-13(11-5-7-18-8-6-11)16(20-15)14-9-19-10-23-14/h3-10,12H,1-2H2,(H,20,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair