BDBM50527836 CHEMBL4459700

SMILES: [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)C#Cc1ccccc1

InChI Key: InChIKey=USWJRDNZGKAEGP-IRYUZJHDSA-N

Data: 2 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 2 hits for monomerid = 50527836   

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))	BDBM50527836 (CHEMBL4459700) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H25N5O3/c33-18-9-6-17(7-10-18)12-13-28-26-22-27(31-21(30-26)11-8-16-4-2-1-3-5-16)32(15-29-22)23-19-14-20(19)24(34)25(23)35/h1-7,9-10,15,19-20,23-25,33-35H,12-14H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mus musculus)	BDBM50527836 (CHEMBL4459700) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C27H25N5O3/c33-18-9-6-17(7-10-18)12-13-28-26-22-27(31-21(30-26)11-8-16-4-2-1-3-5-16)32(15-29-22)23-19-14-20(19)24(34)25(23)35/h1-7,9-10,15,19-20,23-25,33-35H,12-14H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...				J Med Chem 63: 4334-4348 (2020) Article DOI: 10.1021/acs.jmedchem.0c00235
					More data for this Ligand-Target Pair