BDBM50087417 2-(4-Chloro-benzylcarbamoyl)-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid 1H2O.025CH3CO2H::CHEMBL37650

SMILES: OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccc(Cl)cc1

InChI Key: InChIKey=CEZUBTIRYSPQFO-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 = 50087417   

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
AMP deaminase 3 (hAMPD3) (Homo sapiens (Human))	BDBM50087417 (2-(4-Chloro-benzylcarbamoyl)-6-(8-hydroxy-7,8-dihy...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H24ClN5O4/c21-14-6-4-13(5-7-14)9-23-19(28)15(20(29)30)3-1-2-8-26-12-25-17-16(27)10-22-11-24-18(17)26/h4-7,11-12,15-16,27H,1-3,8-10H2,(H,22,24)(H,23,28)(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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 Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087417 (2-(4-Chloro-benzylcarbamoyl)-6-(8-hydroxy-7,8-dihy...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H24ClN5O4/c21-14-6-4-13(5-7-14)9-23-19(28)15(20(29)30)3-1-2-8-26-12-25-17-16(27)10-22-11-24-18(17)26/h4-7,11-12,15-16,27H,1-3,8-10H2,(H,22,24)(H,23,28)(H,29,30)	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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair