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BDBM50021260 CHEMBL3287907

SMILES: COc1nc2cccnc2n1[C@H]1C[C@@H](C1)Nc1nc2ccccc2s1

InChI Key: InChIKey=QSZCDYHTHAAFAW-HAQNSBGRSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50021260   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50021260
PNG
(CHEMBL3287907)
Show SMILES COc1nc2cccnc2n1[C@H]1C[C@@H](C1)Nc1nc2ccccc2s1 |r,wU:11.12,wD:13.17,(17.3,-49.84,;18.06,-51.17,;17.29,-52.5,;15.76,-52.66,;15.43,-54.18,;14.1,-54.95,;14.1,-56.49,;15.44,-57.26,;16.77,-56.49,;16.77,-54.95,;17.92,-53.92,;19.42,-54.23,;20.71,-53.39,;21.55,-54.67,;20.27,-55.51,;23.06,-54.99,;24.09,-53.84,;23.77,-52.33,;25.11,-51.56,;25.42,-50.06,;26.88,-49.58,;28.03,-50.61,;27.71,-52.11,;26.25,-52.59,;25.63,-54,)|
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12-
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay

ACS Med Chem Lett 5: 700-5 (2014)


Article DOI: 10.1021/ml5000993
BindingDB Entry DOI: 10.7270/Q2T43VPW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)