BDBM50152218 CHEMBL177386::N*5*-[(R)-1-(3,5-Dichloro-pyridin-4-ylmethyl)-pyrrolidin-2-ylmethyl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

SMILES: Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1

InChI Key: InChIKey=AOKIATHOELUTRB-LLVKDONJSA-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 = 50152218   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50152218 (CHEMBL177386 | N*5*-[(R)-1-(3,5-Dichloro-pyridin-4...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H19Cl2N9O/c20-13-8-23-9-14(21)12(13)10-29-5-1-3-11(29)7-24-18-26-17(22)30-19(27-18)25-16(28-30)15-4-2-6-31-15/h2,4,6,8-9,11H,1,3,5,7,10H2,(H3,22,24,25,26,27,28)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50152218 (CHEMBL177386 | N*5*-[(R)-1-(3,5-Dichloro-pyridin-4...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H19Cl2N9O/c20-13-8-23-9-14(21)12(13)10-29-5-1-3-11(29)7-24-18-26-17(22)30-19(27-18)25-16(28-30)15-4-2-6-31-15/h2,4,6,8-9,11H,1,3,5,7,10H2,(H3,22,24,25,26,27,28)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]-ZM-241,385 as radioligand				Bioorg Med Chem Lett 14: 4831-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.047 BindingDB Entry DOI: 10.7270/Q2CJ8CZP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50152218 (CHEMBL177386 | N*5*-[(R)-1-(3,5-Dichloro-pyridin-4...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H19Cl2N9O/c20-13-8-23-9-14(21)12(13)10-29-5-1-3-11(29)7-24-18-26-17(22)30-19(27-18)25-16(28-30)15-4-2-6-31-15/h2,4,6,8-9,11H,1,3,5,7,10H2,(H3,22,24,25,26,27,28)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex				J Med Chem 48: 2009-18 (2005) Article DOI: 10.1021/jm0498396 BindingDB Entry DOI: 10.7270/Q2NZ88FB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50152218 (CHEMBL177386 | N*5*-[(R)-1-(3,5-Dichloro-pyridin-4...) Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(Cl)cncc2Cl)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H19Cl2N9O/c20-13-8-23-9-14(21)12(13)10-29-5-1-3-11(29)7-24-18-26-17(22)30-19(27-18)25-16(28-30)15-4-2-6-31-15/h2,4,6,8-9,11H,1,3,5,7,10H2,(H3,22,24,25,26,27,28)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from rat cerebral cortex was determined using [3H]-DPCPX as radioligand				Bioorg Med Chem Lett 14: 4831-4 (2004) Article DOI: 10.1016/j.bmcl.2004.07.047 BindingDB Entry DOI: 10.7270/Q2CJ8CZP
					More data for this Ligand-Target Pair