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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thromboxane A2 receptor' and Ligand = 'BDBM81998'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81998
PNG
(CAS_119571 | NSC_119571 | SQ 30741)
Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O |w:22.23,TLB:13:14:16.17:19,THB:21:20:16.17:19|
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
28.3n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM81998
PNG
(CAS_119571 | NSC_119571 | SQ 30741)
Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O |w:22.23,TLB:13:14:16.17:19,THB:21:20:16.17:19|
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
49.6n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair