BDBM50251138 6-Hydroxy-5,7-dimethyl-beta-carboline::CHEMBL458558

SMILES: Cc1cc2[nH]c3cnccc3c2c(C)c1O

InChI Key: InChIKey=RRUTVQQPPTZUTL-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 = 50251138   

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 A3 (Homo sapiens (Human))	BDBM50251138 (6-Hydroxy-5,7-dimethyl-beta-carboline | CHEMBL4585...) Show SMILES Cc1cc2[nH]c3cnccc3c2c(C)c1O Show InChI InChI=1S/C13H12N2O/c1-7-5-10-12(8(2)13(7)16)9-3-4-14-6-11(9)15-10/h3-6,15-16H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells				Bioorg Med Chem 16: 3825-30 (2008) Article DOI: 10.1016/j.bmc.2008.01.041 BindingDB Entry DOI: 10.7270/Q2028SG4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50251138 (6-Hydroxy-5,7-dimethyl-beta-carboline | CHEMBL4585...) Show SMILES Cc1cc2[nH]c3cnccc3c2c(C)c1O Show InChI InChI=1S/C13H12N2O/c1-7-5-10-12(8(2)13(7)16)9-3-4-14-6-11(9)15-10/h3-6,15-16H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells				Bioorg Med Chem 16: 3825-30 (2008) Article DOI: 10.1016/j.bmc.2008.01.041 BindingDB Entry DOI: 10.7270/Q2028SG4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50251138 (6-Hydroxy-5,7-dimethyl-beta-carboline | CHEMBL4585...) Show SMILES Cc1cc2[nH]c3cnccc3c2c(C)c1O Show InChI InChI=1S/C13H12N2O/c1-7-5-10-12(8(2)13(7)16)9-3-4-14-6-11(9)15-10/h3-6,15-16H,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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells				Bioorg Med Chem 16: 3825-30 (2008) Article DOI: 10.1016/j.bmc.2008.01.041 BindingDB Entry DOI: 10.7270/Q2028SG4
					More data for this Ligand-Target Pair