null

SMILES: CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O

InChI Key: InChIKey=WJETXDWIILBXCI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50087304   

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 deaminase (Bos taurus (bovine))	BDBM50087304 (2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14| Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens (Human))	BDBM50087304 (2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14| Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087304 (2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14| Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens (Human))	BDBM50087304 (2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14| Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair