BindingDB logo
myBDB logout

BDBM50234482 CHEMBL4096045

SMILES: CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(cc3Cl)C#N)n(C)c12

InChI Key: InChIKey=PBIMCDREYAOMPJ-UHFFFAOYSA-N

Data: 1 IC50

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 = 50234482   
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))		BDBM50234482
PNG
(CHEMBL4096045)
Show SMILES CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(cc3Cl)C#N)n(C)c12
Show InChI InChI=1S/C21H21Cl2N3O/c1-5-14(6-2)15-7-8-16(22)18-19(15)26(4)21(25-18)27-20-12(3)9-13(11-24)10-17(20)23/h7-10,14H,5-6H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition meas...

Bioorg Med Chem 25: 1556-1570 (2017)


BindingDB Entry DOI: 10.7270/Q23R0W4P
More data for this
Ligand-Target Pair