BDBM50014276 9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluorene-2,4-dithiol::CHEMBL316857

SMILES: S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1

InChI Key: InChIKey=SMYZWAOVOBCSNO-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 = 50014276   

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))	BDBM50014276 (9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...) Show SMILES S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1 Show InChI InChI=1S/C16H15N3S2/c20-15-13-11-8-4-5-9-12(11)19(10-6-2-1-3-7-10)14(13)17-16(21)18-15/h1-3,6-7H,4-5,8-9H2,(H2,17,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand				J Med Chem 33: 2822-8 (1990) BindingDB Entry DOI: 10.7270/Q27D2T4D
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50014276 (9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluore...) Show SMILES S=c1[nH]c2n(c3CCCCc3c2c(=S)[nH]1)-c1ccccc1 Show InChI InChI=1S/C16H15N3S2/c20-15-13-11-8-4-5-9-12(11)19(10-6-2-1-3-7-10)14(13)17-16(21)18-15/h1-3,6-7H,4-5,8-9H2,(H2,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand				J Med Chem 33: 2822-8 (1990) BindingDB Entry DOI: 10.7270/Q27D2T4D
					More data for this Ligand-Target Pair