BDBM50511962 CHEMBL4543948

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1

InChI Key: InChIKey=SXQYCEBGTWCAFO-UHFFFAOYSA-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 = 50511962   

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 & A2b (Homo sapiens (Human))	BDBM50511962 (CHEMBL4543948) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26N6O5S/c1-2-12-31-24(33)20-22(28-25(31)34)27-21(26-20)17-8-10-19(11-9-17)37(35,36)30-15-13-29(14-16-30)23(32)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,26,27)(H,28,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adeno...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50511962 (CHEMBL4543948) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26N6O5S/c1-2-12-31-24(33)20-22(28-25(31)34)27-21(26-20)17-8-10-19(11-9-17)37(35,36)30-15-13-29(14-16-30)23(32)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,26,27)(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from recombinant human A2A adenosine receptor expressed in CHO cell membranes measured after 30 mins in presence of adenosi...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50511962 (CHEMBL4543948) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26N6O5S/c1-2-12-31-24(33)20-22(28-25(31)34)27-21(26-20)17-8-10-19(11-9-17)37(35,36)30-15-13-29(14-16-30)23(32)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,26,27)(H,28,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from recombinant human A3 adenosine receptor expressed in CHO cell membranes measured after 45 mins in presence of adenosi...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50511962 (CHEMBL4543948) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26N6O5S/c1-2-12-31-24(33)20-22(28-25(31)34)27-21(26-20)17-8-10-19(11-9-17)37(35,36)30-15-13-29(14-16-30)23(32)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,26,27)(H,28,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human A1 adenosine receptor expressed in CHO cell membranes measured after 90 mins in presence of adenosine...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071
					More data for this Ligand-Target Pair