BDBM50108674 CHEMBL3596504

SMILES: COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12

InChI Key: InChIKey=ZJCWMJGOWBGMOH-CQSZACIVSA-N

Data: 2 KI  1 IC50

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 = 50108674   

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 A2a (Homo sapiens (Human))	BDBM50108674 (CHEMBL3596504) Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(16-6-3-5-15(23)11-16)10-9-28(14)13-19-25-21-17-7-4-8-18(31-2)20(17)26-22(24)30(21)27-19/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,26)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human adenosine A2A receptor				Bioorg Med Chem Lett 25: 2958-62 (2015) BindingDB Entry DOI: 10.7270/Q23F4RFG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50108674 (CHEMBL3596504) Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(16-6-3-5-15(23)11-16)10-9-28(14)13-19-25-21-17-7-4-8-18(31-2)20(17)26-22(24)30(21)27-19/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human adenosine A1 receptor				Bioorg Med Chem Lett 25: 2958-62 (2015) BindingDB Entry DOI: 10.7270/Q23F4RFG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108674 (CHEMBL3596504) Show SMILES COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 |r| Show InChI InChI=1S/C22H24FN7O/c1-14-12-29(16-6-3-5-15(23)11-16)10-9-28(14)13-19-25-21-17-7-4-8-18(31-2)20(17)26-22(24)30(21)27-19/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG channel				Bioorg Med Chem Lett 25: 2958-62 (2015) BindingDB Entry DOI: 10.7270/Q23F4RFG
					More data for this Ligand-Target Pair