BDBM50003222 CHEMBL440418

SMILES: Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1

InChI Key: InChIKey=VLZIHWVFTXOQPO-UHFFFAOYSA-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 = 50003222   

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))	BDBM50003222 (CHEMBL440418) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1 Show InChI InChI=1S/C27H25ClN6O4S/c1-31-21-14-19(29-24(21)25(36)32(2)27(31)37)16-3-6-18(7-4-16)38-15-23(35)33-9-11-34(12-10-33)26-30-20-13-17(28)5-8-22(20)39-26/h3-8,13-14,29H,9-12,15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2852-69 (2008) Checked by Author Article DOI: 10.1016/j.bmc.2008.01.002 BindingDB Entry DOI: 10.7270/Q2G73FMZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50003222 (CHEMBL440418) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1 Show InChI InChI=1S/C27H25ClN6O4S/c1-31-21-14-19(29-24(21)25(36)32(2)27(31)37)16-3-6-18(7-4-16)38-15-23(35)33-9-11-34(12-10-33)26-30-20-13-17(28)5-8-22(20)39-26/h3-8,13-14,29H,9-12,15H2,1-2H3	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	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 2852-69 (2008) Checked by Author Article DOI: 10.1016/j.bmc.2008.01.002 BindingDB Entry DOI: 10.7270/Q2G73FMZ
					More data for this Ligand-Target Pair