BindingDB logo
myBDB logout

BDBM50393845 CHEMBL2160035

SMILES: CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2cc(F)ccc2c1Cl

InChI Key: InChIKey=TUNKKTFGWJKZQN-YHBQERECSA-N

Data: 1 EC50

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 = 50393845   
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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50393845
PNG
(CHEMBL2160035)
Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2cc(F)ccc2c1Cl |r,wU:2.1,wD:5.8,(-2.43,-42.98,;-1.11,-42.19,;-1.14,-40.65,;-2.49,-39.91,;-2.52,-38.37,;-1.2,-37.57,;.15,-38.32,;.17,-39.86,;-1.23,-36.03,;-2.57,-35.29,;-3.89,-36.08,;-5.24,-35.34,;-6.55,-36.14,;-6.53,-37.68,;-5.18,-38.42,;-3.86,-37.62,;-5.15,-39.95,;-6.47,-40.75,;-6.44,-42.28,;-5.09,-43.03,;-3.78,-42.24,;-3.8,-40.7,;.09,-35.24,;.06,-33.7,;1.43,-35.99,;1.46,-37.52,;2.92,-37.98,;3.57,-39.38,;5.1,-39.53,;5.74,-40.92,;5.99,-38.27,;5.34,-36.87,;3.81,-36.73,;2.89,-35.5,;3.35,-34.03,)|
Show InChI InChI=1S/C28H27ClFN3OS/c1-31-22-6-8-23(9-7-22)33(17-18-3-2-4-20(15-18)19-11-13-32-14-12-19)28(34)27-26(29)24-10-5-21(30)16-25(24)35-27/h2-5,10-16,22-23,31H,6-9,17H2,1H3/t22-,23-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 176n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay

Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair