BDBM50312970 CHEMBL1081039::Cyclopropanecarboxylic acid [2,2',3',4'']terpyridin-6'-ylamide

SMILES: O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1

InChI Key: InChIKey=OHTMLKHQLZWGCY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50312970   

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))	BDBM50312970 (CHEMBL1081039 | Cyclopropanecarboxylic acid [2,2',...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1 Show InChI InChI=1S/C19H16N4O/c24-19(14-4-5-14)23-17-7-6-15(13-8-11-20-12-9-13)18(22-17)16-3-1-2-10-21-16/h1-3,6-12,14H,4-5H2,(H,22,23,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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 A2a (Homo sapiens (Human))	BDBM50312970 (CHEMBL1081039 | Cyclopropanecarboxylic acid [2,2',...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1 Show InChI InChI=1S/C19H16N4O/c24-19(14-4-5-14)23-17-7-6-15(13-8-11-20-12-9-13)18(22-17)16-3-1-2-10-21-16/h1-3,6-12,14H,4-5H2,(H,22,23,24)	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	862	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 A1 (Homo sapiens (Human))	BDBM50312970 (CHEMBL1081039 | Cyclopropanecarboxylic acid [2,2',...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccccn1)C1CC1 Show InChI InChI=1S/C19H16N4O/c24-19(14-4-5-14)23-17-7-6-15(13-8-11-20-12-9-13)18(22-17)16-3-1-2-10-21-16/h1-3,6-12,14H,4-5H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	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