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BDBM82232 CAS_8977::GDP::NSC_8977

SMILES: Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O

InChI Key: InChIKey=QGWNDRXFNXRZMB-UHFFFAOYSA-N

Data: 2 KI

PDB links: 870 PDB IDs match this monomer.

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 = 82232   
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
Cholecystokinin


(RAT)
BDBM82232
PNG
(CAS_8977 | GDP | NSC_8977)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche & Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin


(RAT)
BDBM82232
PNG
(CAS_8977 | GDP | NSC_8977)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche & Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair