BDBM50190705 4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic acid::CHEMBL212217

SMILES: CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O

InChI Key: InChIKey=NSXUYBRBIYQDKM-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 = 50190705   

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 A1 (Rattus norvegicus (rat))	BDBM50190705 (4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic ac...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C16H17N5O6S/c1-2-7-21-15(24)12-14(20-16(21)25)19-13(18-12)9-3-5-10(6-4-9)28(26,27)17-8-11(22)23/h3-6,17H,2,7-8H2,1H3,(H,18,19)(H,20,25)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50190705 (4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic ac...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C16H17N5O6S/c1-2-7-21-15(24)12-14(20-16(21)25)19-13(18-12)9-3-5-10(6-4-9)28(26,27)17-8-11(22)23/h3-6,17H,2,7-8H2,1H3,(H,18,19)(H,20,25)(H,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50190705 (4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic ac...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C16H17N5O6S/c1-2-7-21-15(24)12-14(20-16(21)25)19-13(18-12)9-3-5-10(6-4-9)28(26,27)17-8-11(22)23/h3-6,17H,2,7-8H2,1H3,(H,18,19)(H,20,25)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50190705 (4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic ac...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C16H17N5O6S/c1-2-7-21-15(24)12-14(20-16(21)25)19-13(18-12)9-3-5-10(6-4-9)28(26,27)17-8-11(22)23/h3-6,17H,2,7-8H2,1H3,(H,18,19)(H,20,25)(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 49: 4384-91 (2006) Article DOI: 10.1021/jm060277v BindingDB Entry DOI: 10.7270/Q2DV1JHP
					More data for this Ligand-Target Pair