BDBM50030271 CHEMBL127872::N-[2-(8H-6-Thia-3,4,8-triaza-benzo[de]cyclopenta[b]anthracen-7-yl)-ethyl]-acetamide::kuanoniamine D

SMILES: CC(=O)NCCc1c2scnc2c2nccc3c4ccccc4[nH]c1c23

InChI Key: InChIKey=GUSIRVISUKPQFL-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 = 50030271   

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))	BDBM50030271 (CHEMBL127872 | N-[2-(8H-6-Thia-3,4,8-triaza-benzo[...) Show SMILES CC(=O)NCCc1c2scnc2c2nccc3c4ccccc4[nH]c1c23 Show InChI InChI=1S/C20H16N4OS/c1-11(25)21-8-7-14-17-16-13(12-4-2-3-5-15(12)24-17)6-9-22-18(16)19-20(14)26-10-23-19/h2-6,9-10,24H,7-8H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biowissenschaften Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane				J Nat Prod 61: 301-5 (1998) Article DOI: 10.1021/np9702704 BindingDB Entry DOI: 10.7270/Q2TD9X4K
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50030271 (CHEMBL127872 | N-[2-(8H-6-Thia-3,4,8-triaza-benzo[...) Show SMILES CC(=O)NCCc1c2scnc2c2nccc3c4ccccc4[nH]c1c23 Show InChI InChI=1S/C20H16N4OS/c1-11(25)21-8-7-14-17-16-13(12-4-2-3-5-15(12)24-17)6-9-22-18(16)19-20(14)26-10-23-19/h2-6,9-10,24H,7-8H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biowissenschaften Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane				J Nat Prod 61: 301-5 (1998) Article DOI: 10.1021/np9702704 BindingDB Entry DOI: 10.7270/Q2TD9X4K
					More data for this Ligand-Target Pair