BDBM50375416 CHEMBL260693

SMILES: Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1

InChI Key: InChIKey=KYHLKVDUCVJGPQ-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 = 50375416   

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))	BDBM50375416 (CHEMBL260693) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H26ClN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-6-8-20(9-7-17)36-16-23(33)32-12-10-31(11-13-32)19-5-3-4-18(27)14-19/h3-9,14-15,28H,10-13,16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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 A2b (Homo sapiens (Human))	BDBM50375416 (CHEMBL260693) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H26ClN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-6-8-20(9-7-17)36-16-23(33)32-12-10-31(11-13-32)19-5-3-4-18(27)14-19/h3-9,14-15,28H,10-13,16H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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))	BDBM50375416 (CHEMBL260693) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H26ClN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-6-8-20(9-7-17)36-16-23(33)32-12-10-31(11-13-32)19-5-3-4-18(27)14-19/h3-9,14-15,28H,10-13,16H2,1-2H3	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	155	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