BDBM50076619 9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amino)-2,7-dimethyl-7,9-dihydro-purin-8-one::CHEMBL297170

SMILES: CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12

InChI Key: InChIKey=UNFMXFXVIKXMEV-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 = 50076619   

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
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50076619 (9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amin...) Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(4.5,1.47,;3.17,2.22,;1.83,1.45,;.48,2.21,;-.83,1.44,;-2.18,2.21,;-3.51,1.42,;-.83,-.1,;-2.16,-.86,;-2.16,-2.41,;-3.5,-3.18,;-.83,-3.18,;.51,-2.41,;1.98,-2.86,;2.47,-4.33,;1.44,-5.45,;1.95,-6.94,;3.46,-7.22,;4.48,-6.07,;3.98,-4.61,;5,-3.46,;3.94,-8.7,;2.95,-9.85,;5.45,-8.99,;2.88,-1.61,;4.42,-1.59,;1.96,-.38,;2.71,.96,;.5,-.86,)| Show InChI InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(29)26(19)6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Compound was tested for the binding affinity to human corticotropin releasing factor 1 (hCRF1) receptors				J Med Chem 43: 1641-60 (2000) BindingDB Entry DOI: 10.7270/Q29S1RRP
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50076619 (9-(2-Bromo-4-isopropyl-phenyl)-6-(butyl-ethyl-amin...) Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(4.5,1.47,;3.17,2.22,;1.83,1.45,;.48,2.21,;-.83,1.44,;-2.18,2.21,;-3.51,1.42,;-.83,-.1,;-2.16,-.86,;-2.16,-2.41,;-3.5,-3.18,;-.83,-3.18,;.51,-2.41,;1.98,-2.86,;2.47,-4.33,;1.44,-5.45,;1.95,-6.94,;3.46,-7.22,;4.48,-6.07,;3.98,-4.61,;5,-3.46,;3.94,-8.7,;2.95,-9.85,;5.45,-8.99,;2.88,-1.61,;4.42,-1.59,;1.96,-.38,;2.71,.96,;.5,-.86,)| Show InChI InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(29)26(19)6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...				Bioorg Med Chem Lett 9: 967-72 (1999) BindingDB Entry DOI: 10.7270/Q26H4GKK
					More data for this Ligand-Target Pair