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BDBM50055843 CHEMBL3325785

SMILES: [H][C@@]12C[C@@H](O)CN1C[C@H](C)N(C2)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(=O)CCC)c2C)c2cc(C)ccc12

InChI Key: InChIKey=DLCYGZJMVABJII-RYIISMNLNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50055843   
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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50055843
PNG
(CHEMBL3325785)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)c3ccc(C)cc23)cc1
Show InChI InChI=1/C34H40N6O4/c1-5-6-32(42)29-15-35-40(23(29)4)25-10-8-24(9-11-25)36-34(44)30-19-38(31-12-7-21(2)13-28(30)31)20-33(43)39-17-26-14-27(41)18-37(26)16-22(39)3/h7-13,15,19,22,26-27,41H,5-6,14,16-18,20H2,1-4H3,(H,36,44)/t22-,26-,27+/s2
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis


J Med Chem 57: 7293-316 (2014)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055843
PNG
(CHEMBL3325785)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)c3ccc(C)cc23)cc1
Show InChI InChI=1/C34H40N6O4/c1-5-6-32(42)29-15-35-40(23(29)4)25-10-8-24(9-11-25)36-34(44)30-19-38(31-12-7-21(2)13-28(30)31)20-33(43)39-17-26-14-27(41)18-37(26)16-22(39)3/h7-13,15,19,22,26-27,41H,5-6,14,16-18,20H2,1-4H3,(H,36,44)/t22-,26-,27+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


J Med Chem 57: 7293-316 (2014)

More data for this
Ligand-Target Pair