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BDBM50071137 (Z)-7-{3-[(R)-4-(4-Cyclohexyl-butylcarbamoyl)-4,5-dihydro-oxazol-2-yl]-phenyl}-7-pyridin-3-yl-hept-6-enoic acid::CHEMBL294850

SMILES: OC(=O)CCCC\C=C(/c1cccnc1)c1cccc(c1)C1=N[C@H](CO1)C(=O)NCCCCC1CCCCC1

InChI Key: InChIKey=IUIKKXJIHSJKKO-FHGOPSEHSA-N

Data: 2 Kd

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 = 50071137   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50071137
PNG
((Z)-7-{3-[(R)-4-(4-Cyclohexyl-butylcarbamoyl)-4,5-...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1cccc(c1)C1=N[C@H](CO1)C(=O)NCCCCC1CCCCC1 |t:23|
Show InChI InChI=1S/C32H41N3O4/c36-30(37)18-6-2-5-17-28(27-16-10-19-33-22-27)25-14-9-15-26(21-25)32-35-29(23-39-32)31(38)34-20-8-7-13-24-11-3-1-4-12-24/h9-10,14-17,19,21-22,24,29H,1-8,11-13,18,20,23H2,(H,34,38)(H,36,37)/b28-17-/t29-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 830n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro thromboxane receptor antagonism was determined using a human platelet binding assay


Bioorg Med Chem Lett 8: 1943-8 (1999)


BindingDB Entry DOI: 10.7270/Q2DB8107
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50071137
PNG
((Z)-7-{3-[(R)-4-(4-Cyclohexyl-butylcarbamoyl)-4,5-...)
Show SMILES OC(=O)CCCC\C=C(/c1cccnc1)c1cccc(c1)C1=N[C@H](CO1)C(=O)NCCCCC1CCCCC1 |t:23|
Show InChI InChI=1S/C32H41N3O4/c36-30(37)18-6-2-5-17-28(27-16-10-19-33-22-27)25-14-9-15-26(21-25)32-35-29(23-39-32)31(38)34-20-8-7-13-24-11-3-1-4-12-24/h9-10,14-17,19,21-22,24,29H,1-8,11-13,18,20,23H2,(H,34,38)(H,36,37)/b28-17-/t29-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 452n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2


Bioorg Med Chem Lett 8: 1943-8 (1999)


BindingDB Entry DOI: 10.7270/Q2DB8107
More data for this
Ligand-Target Pair