BDBM50106015 2-(4,6-Diamino-8-imino-8,8a-dihydro-3aH-1,3,5,7-tetraaza-azulen-1-ylmethoxy)-ethanol; compound with trifluoro-methanesulfonic acid::CHEMBL95745

SMILES: Nc1nc(N)c2NCN(COCCO)c2c(=N)n1

InChI Key: InChIKey=UWKYEGKTZNMINE-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 = 50106015   

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
Guanine deaminase (Homo sapiens (Human))	BDBM50106015 (2-(4,6-Diamino-8-imino-8,8a-dihydro-3aH-1,3,5,7-te...) Show SMILES Nc1nc(N)c2NCN(COCCO)c2c(=N)n1 Show InChI InChI=1S/C9H15N7O2/c10-7-5-6(8(11)15-9(12)14-7)16(3-13-5)4-18-2-1-17/h13,17H,1-4H2,(H5,10,11,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity against Guanine deaminase (guanase) from rabbit liver was determined				Bioorg Med Chem Lett 11: 2893-6 (2001) BindingDB Entry DOI: 10.7270/Q28K79MD
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50106015 (2-(4,6-Diamino-8-imino-8,8a-dihydro-3aH-1,3,5,7-te...) Show SMILES Nc1nc(N)c2NCN(COCCO)c2c(=N)n1 Show InChI InChI=1S/C9H15N7O2/c10-7-5-6(8(11)15-9(12)14-7)16(3-13-5)4-18-2-1-17/h13,17H,1-4H2,(H5,10,11,12,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined				Bioorg Med Chem Lett 11: 2893-6 (2001) BindingDB Entry DOI: 10.7270/Q28K79MD
					More data for this Ligand-Target Pair