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BDBM50446335 CHEMBL3109587

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)C4CCNCC4)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12

InChI Key: InChIKey=KWRXFAKQFYCVMI-VRCOFNPLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446335   
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
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50446335
PNG
(CHEMBL3109587)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)C4CCNCC4)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12
Show InChI InChI=1S/C33H40FN3O3/c1-20-31-29(10-8-27-7-6-24(19-36-27)23-3-2-4-26(34)16-23)28-9-5-21(15-25(28)17-30(31)33(39)40-20)18-37-32(38)22-11-13-35-14-12-22/h2-4,6-8,10,16,19-22,25,28-31,35H,5,9,11-15,17-18H2,1H3,(H,37,38)/b10-8+/t20-,21-,25+,28-,29+,30-,31+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair