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Compile Data Set for Download or QSAR

Found 5 hits of ki data for polymerid = 1069,50001210   
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50188619
PNG
(1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...)
Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Li&eagrove;ge

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 293-301 (2005)


Article DOI: 10.1124/jpet.104.079301
BindingDB Entry DOI: 10.7270/Q2NV9GVJ
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50167939
PNG
(3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...)
Show SMILES c1ccccc1
Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Li&eagrove;ge

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 293-301 (2005)


Article DOI: 10.1124/jpet.104.079301
BindingDB Entry DOI: 10.7270/Q2NV9GVJ
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair