BindingDB logo
myBDB logout

null

SMILES: CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12

InChI Key: InChIKey=LJRUUGDTTFDUCX-UHFFFAOYSA-N

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 1 hit for monomerid = 50076896   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50076896
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(butyl-ethyl-amin...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12 |(11.23,-8.67,;11.25,-10.21,;12.58,-10.98,;12.58,-12.52,;13.93,-13.28,;15.26,-12.5,;15.24,-10.94,;13.93,-14.82,;12.6,-15.59,;12.6,-17.13,;11.26,-17.9,;13.93,-17.9,;15.27,-17.13,;16.75,-17.58,;17.23,-19.06,;16.2,-20.2,;16.68,-21.65,;18.19,-21.97,;19.22,-20.81,;18.72,-19.34,;19.81,-18.25,;18.67,-23.42,;17.65,-24.57,;20.18,-23.74,;17.65,-16.33,;19.17,-16.33,;16.72,-15.1,;15.27,-15.59,)|
Show InChI InChI=1S/C21H27BrN4S2/c1-6-8-11-25(7-2)19-18-20(24-14(5)23-19)26(21(27)28-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 24n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human Corticotropin releasing factor receptor 1 expressed in HEK 293E cells using [125I]-TYR-oCRH

Bioorg Med Chem Lett 9: 1185-8 (1999)


BindingDB Entry DOI: 10.7270/Q24M93Q4
More data for this
Ligand-Target Pair