BDBM50527829 CHEMBL4448826

SMILES: [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(nc12)C#Cc1ccc(Cl)s1

InChI Key: InChIKey=ZJRBBCPVLLPWIQ-FLPYBPNLSA-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 = 50527829   

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))	BDBM50527829 (CHEMBL4448826) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C26H22ClN5O2S/c27-19-8-6-14(35-19)7-9-20-30-25(29-18-11-15(18)13-4-2-1-3-5-13)21-26(31-20)32(12-28-21)22-16-10-17(16)23(33)24(22)34/h1-6,8,12,15-18,22-24,33-34H,10-11H2,(H,29,30,31)/t15-,16+,17-,18+,22-,23-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	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)	BDBM50527829 (CHEMBL4448826) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C26H22ClN5O2S/c27-19-8-6-14(35-19)7-9-20-30-25(29-18-11-15(18)13-4-2-1-3-5-13)21-26(31-20)32(12-28-21)22-16-10-17(16)23(33)24(22)34/h1-6,8,12,15-18,22-24,33-34H,10-11H2,(H,29,30,31)/t15-,16+,17-,18+,22-,23-,24+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+3	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