BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'main' and Initial = 'aj'   
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
thyroid beta


(RAT)
BDBM50036427
PNG
(CHEMBL350265 | [3,5-Dibromo-4-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(OCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O5/c1-9(2)12-5-10(3-4-15(12)20)24-17-13(18)6-11(7-14(17)19)23-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036401
PNG
(CHEMBL163221 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(NC(=O)C(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C17H15I2NO5/c1-8(2)11-7-10(3-4-14(11)21)25-15-12(18)5-9(6-13(15)19)20-16(22)17(23)24/h3-8,21H,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
thyroid beta


(RAT)
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
thyroid beta


(RAT)
BDBM50036402
PNG
(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036399
PNG
(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036418
PNG
(CHEMBL350049 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C21H25NO5/c1-6-26-21(25)20(24)22-15-9-13(4)19(14(5)10-15)27-16-7-8-18(23)17(11-16)12(2)3/h7-12,23H,6H2,1-5H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036423
PNG
(CHEMBL164421 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(=O)OCc3ccccc3)cc2C)ccc1O
Show InChI InChI=1S/C26H27NO5/c1-16(2)22-14-21(10-11-23(22)28)32-24-17(3)12-20(13-18(24)4)27-25(29)26(30)31-15-19-8-6-5-7-9-19/h5-14,16,28H,15H2,1-4H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036411
PNG
(CHEMBL163324 | N-{3,5-Dichloro-4-[3-(4-chloro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(Cl)cc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl3NO5/c22-13-3-1-11(2-4-13)7-12-8-15(5-6-18(12)26)30-19-16(23)9-14(10-17(19)24)25-20(27)21(28)29/h1-6,8-10,26H,7H2,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036410
PNG
(CHEMBL159976 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(NCC(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C17H17I2NO4/c1-9(2)12-7-11(3-4-15(12)21)24-17-13(18)5-10(6-14(17)19)20-8-16(22)23/h3-7,9,20-21H,8H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036424
PNG
(CHEMBL159334 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl2FNO6/c22-15-7-12(25-20(28)21(29)30)8-16(23)19(15)31-13-5-6-17(26)14(9-13)18(27)10-1-3-11(24)4-2-10/h1-9,26H,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036408
PNG
(CHEMBL161828 | N-{4-[3-(4-Chloro-benzyl)-4-hydroxy...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H20ClNO5/c1-13-9-18(25-22(27)23(28)29)10-14(2)21(13)30-19-7-8-20(26)16(12-19)11-15-3-5-17(24)6-4-15/h3-10,12,26H,11H2,1-2H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.430n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036417
PNG
(CHEMBL423977 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2FNO5/c22-16-9-14(25-20(27)21(28)29)10-17(23)19(16)30-15-5-6-18(26)12(8-15)7-11-1-3-13(24)4-2-11/h1-6,8-10,26H,7H2,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.680n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036417
PNG
(CHEMBL423977 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2FNO5/c22-16-9-14(25-20(27)21(28)29)10-17(23)19(16)30-15-5-6-18(26)12(8-15)7-11-1-3-13(24)4-2-11/h1-6,8-10,26H,7H2,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.680n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036404
PNG
(CHEMBL159595 | N-(4-{3-[(4-Fluoro-phenyl)-hydroxy-...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(c1)C(O)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FNO6/c1-12-9-16(25-22(28)23(29)30)10-13(2)21(12)31-17-7-8-19(26)18(11-17)20(27)14-3-5-15(24)6-4-14/h3-11,20,26-27H,1-2H3,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036395
PNG
(CHEMBL350199 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(N)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H22N2O4/c1-10(2)15-9-14(5-6-16(15)22)25-17-11(3)7-13(8-12(17)4)21-19(24)18(20)23/h5-10,22H,1-4H3,(H2,20,23)(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036420
PNG
(CHEMBL161535 | N-[4-(3-Isopropyl-4-methoxy-phenoxy...)
Show SMILES COC(=O)C(=O)Nc1cc(C)c(Oc2ccc(OC)c(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C21H25NO5/c1-12(2)17-11-16(7-8-18(17)25-5)27-19-13(3)9-15(10-14(19)4)22-20(23)21(24)26-6/h7-12H,1-6H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036406
PNG
(CHEMBL163380 | [3,5-Dichloro-4-(4-hydroxy-3-isopro...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NCC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H17Cl2NO4/c1-9(2)12-7-11(3-4-15(12)21)24-17-13(18)5-10(6-14(17)19)20-8-16(22)23/h3-7,9,20-21H,8H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036397
PNG
(CHEMBL348983 | N-[3,5-Dichloro-4-(4-hydroxy-3-isop...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H15Cl2NO5/c1-8(2)11-7-10(3-4-14(11)21)25-15-12(18)5-9(6-13(15)19)20-16(22)17(23)24/h3-8,21H,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036398
PNG
(CHEMBL162692 | [3,5-Dibromo-4-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(SCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O4S/c1-9(2)12-5-10(3-4-15(12)20)23-17-13(18)6-11(7-14(17)19)24-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036405
PNG
(CHEMBL434476 | N-(3,5-Dichloro-4-{3-[(4-chloro-phe...)
Show SMILES OC(c1ccc(Cl)cc1)c1cc(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C21H14Cl3NO6/c22-11-3-1-10(2-4-11)18(27)14-9-13(5-6-17(14)26)31-19-15(23)7-12(8-16(19)24)25-20(28)21(29)30/h1-9,18,26-27H,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003776
PNG
(8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...)
Show SMILES OC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
Show InChI InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036426
PNG
(CHEMBL159610 | N-{4-[3-(4-Fluoro-benzoyl)-4-hydrox...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H18FNO6/c1-12-9-16(25-22(28)23(29)30)10-13(2)21(12)31-17-7-8-19(26)18(11-17)20(27)14-3-5-15(24)6-4-14/h3-11,26H,1-2H3,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036415
PNG
(CHEMBL163268 | N-[3,5-Dibromo-4-(4-hydroxy-3-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NC(=O)C(N)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2N2O4/c1-8(2)11-7-10(3-4-14(11)22)25-15-12(18)5-9(6-13(15)19)21-17(24)16(20)23/h3-8,22H,1-2H3,(H2,20,23)(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036414
PNG
(CHEMBL346112 | N-{4-[3-(4-Chloro-benzoyl)-4-hydrox...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClNO6/c1-12-9-16(25-22(28)23(29)30)10-13(2)21(12)31-17-7-8-19(26)18(11-17)20(27)14-3-5-15(24)6-4-14/h3-11,26H,1-2H3,(H,25,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036430
PNG
(CHEMBL347713 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(SCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H22O4S/c1-11(2)16-9-14(5-6-17(16)20)23-19-12(3)7-15(8-13(19)4)24-10-18(21)22/h5-9,11,20H,10H2,1-4H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036422
PNG
(CHEMBL163020 | N-[3,5-Difluoro-4-(4-hydroxy-3-isop...)
Show SMILES CC(C)c1cc(Oc2c(F)cc(NC(=O)C(O)=O)cc2F)ccc1O
Show InChI InChI=1S/C17H15F2NO5/c1-8(2)11-7-10(3-4-14(11)21)25-15-12(18)5-9(6-13(15)19)20-16(22)17(23)24/h3-8,21H,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003777
PNG
(8-(4-Chloro-benzenesulfonylamino)-2-(5-pyridin-3-y...)
Show SMILES OC(=O)C(CCCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCCc1cccnc1
Show InChI InChI=1S/C24H33ClN2O4S/c25-22-13-15-23(16-14-22)32(30,31)27-18-7-2-1-5-11-21(24(28)29)12-6-3-4-9-20-10-8-17-26-19-20/h8,10,13-17,19,21,27H,1-7,9,11-12,18H2,(H,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036409
PNG
((S)-2-Amino-3-[3,5-dibromo-4-(4-hydroxy-3-isopropy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(C[C@H](N)C(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H19Br2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036396
PNG
(CHEMBL163320 | N-[3,5-Dibromo-4-(4-hydroxy-3-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NC(=O)C(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H15Br2NO5/c1-8(2)11-7-10(3-4-14(11)21)25-15-12(18)5-9(6-13(15)19)20-16(22)17(23)24/h3-8,21H,1-2H3,(H,20,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300929
PNG
((S)-2-amino-3-(4-(4-amino-6-(biphenyl-2-ylmethylam...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccccc2-c2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C25H24N6O2/c26-21(23(32)33)14-16-10-12-18(13-11-16)22-29-24(27)31-25(30-22)28-15-19-8-4-5-9-20(19)17-6-2-1-3-7-17/h1-13,21H,14-15,26H2,(H,32,33)(H3,27,28,29,30,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50280267
PNG
(CHEMBL295121 | [3-[3-(4-Chloro-benzenesulfonylamin...)
Show SMILES OC(=O)Cc1cc(CCCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2cccnc2)c1
Show InChI InChI=1S/C24H25ClN2O4S/c25-22-7-9-23(10-8-22)32(30,31)27-12-2-4-19-13-20(15-21(14-19)16-24(28)29)6-5-18-3-1-11-26-17-18/h1,3,7-11,13-15,17,27H,2,4-6,12,16H2,(H,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against thromboxane synthase enzyme from human microsomal platelet preparation


Bioorg Med Chem Lett 2: 1623-1626 (1992)


Article DOI: 10.1016/S0960-894X(00)80443-6
BindingDB Entry DOI: 10.7270/Q26M36QQ
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036432
PNG
(CHEMBL264041 | N-[4-(3-Isopropyl-phenoxy)-3,5-dime...)
Show SMILES COC(=O)C(=O)Nc1cc(C)c(Oc2cccc(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C20H23NO4/c1-12(2)15-7-6-8-17(11-15)25-18-13(3)9-16(10-14(18)4)21-19(22)20(23)24-5/h6-12H,1-5H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50280268
PNG
(3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(...)
Show SMILES COC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCc2cccnc2)c1
Show InChI InChI=1S/C25H27ClN2O4S/c1-32-25(29)11-6-21-15-20(5-4-19-3-2-13-27-18-19)16-22(17-21)12-14-28-33(30,31)24-9-7-23(26)8-10-24/h2-3,7-10,13,15-18,28H,4-6,11-12,14H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against thromboxane synthase enzyme from human microsomal platelet preparation


Bioorg Med Chem Lett 2: 1623-1626 (1992)


Article DOI: 10.1016/S0960-894X(00)80443-6
BindingDB Entry DOI: 10.7270/Q26M36QQ
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036403
PNG
(CHEMBL352126 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H23NO4/c1-11(2)16-9-15(5-6-17(16)21)24-19-12(3)7-14(8-13(19)4)20-10-18(22)23/h5-9,11,20-21H,10H2,1-4H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243565
PNG
((S)-2-amino-3-(4-(5-(naphthalen-2-ylmethylamino)py...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cnc(NCc2ccc3ccccc3c2)cn1)C(O)=O
Show InChI InChI=1S/C24H22N4O2/c25-21(24(29)30)12-16-5-9-19(10-6-16)22-14-28-23(15-26-22)27-13-17-7-8-18-3-1-2-4-20(18)11-17/h1-11,14-15,21H,12-13,25H2,(H,27,28)(H,29,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300932
PNG
((S)-2-amino-3-(4-(4-amino-6-((4'-methylbiphenyl-4-...)
Show SMILES Cc1ccc(cc1)-c1ccc(CNc2nc(N)nc(n2)-c2ccc(C[C@H](N)C(O)=O)cc2)cc1
Show InChI InChI=1S/C26H26N6O2/c1-16-2-8-19(9-3-16)20-10-6-18(7-11-20)15-29-26-31-23(30-25(28)32-26)21-12-4-17(5-13-21)14-22(27)24(33)34/h2-13,22H,14-15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036412
PNG
(CHEMBL161245 | N-[4-(3-Isopropyl-4-methoxy-phenoxy...)
Show SMILES COc1ccc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)cc1C(C)C
Show InChI InChI=1S/C20H23NO5/c1-11(2)16-10-15(6-7-17(16)25-5)26-18-12(3)8-14(9-13(18)4)21-19(22)20(23)24/h6-11H,1-5H3,(H,21,22)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003779
PNG
(8-(4-Chloro-benzenesulfonylamino)-6-pyridin-3-ylme...)
Show SMILES OC(=O)CCCCC(CCNS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1
Show InChI InChI=1S/C20H25ClN2O4S/c21-18-7-9-19(10-8-18)28(26,27)23-13-11-16(4-1-2-6-20(24)25)14-17-5-3-12-22-15-17/h3,5,7-10,12,15-16,23H,1-2,4,6,11,13-14H2,(H,24,25)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50280264
PNG
(3-[5-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-2-(...)
Show SMILES OC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)ccc1CCc1cccnc1
Show InChI InChI=1S/C24H25ClN2O4S/c25-22-8-10-23(11-9-22)32(30,31)27-15-13-18-3-5-20(21(16-18)7-12-24(28)29)6-4-19-2-1-14-26-17-19/h1-3,5,8-11,14,16-17,27H,4,6-7,12-13,15H2,(H,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against thromboxane synthase enzyme from human microsomal platelet preparation


Bioorg Med Chem Lett 2: 1623-1626 (1992)


Article DOI: 10.1016/S0960-894X(00)80443-6
BindingDB Entry DOI: 10.7270/Q26M36QQ
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50291519
PNG
(3-(3-Biphenyl-4-yl-but-2-enoylamino)-4-methoxy-ben...)
Show SMILES COc1ccc(cc1NC(=O)\C=C(/C)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO4/c1-16(17-8-10-19(11-9-17)18-6-4-3-5-7-18)14-23(26)25-21-15-20(24(27)28)12-13-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b16-14+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50291521
PNG
((E)-3-Biphenyl-4-yl-N-[2-methoxy-5-(1H-tetrazol-5-...)
Show SMILES COc1ccc(cc1NC(=O)C=Cc1ccc(cc1)-c1ccccc1)-c1nnn[nH]1
Show InChI InChI=1S/C23H19N5O2/c1-30-21-13-12-19(23-25-27-28-26-23)15-20(21)24-22(29)14-9-16-7-10-18(11-8-16)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,29)(H,25,26,27,28)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils


Bioorg Med Chem Lett 7: 949-954 (1997)


Article DOI: 10.1016/S0960-894X(97)00134-0
BindingDB Entry DOI: 10.7270/Q25D8RW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300935
PNG
((S)-3-{4-[4-(1-Adamantan-1-yl-ethylamino)-6-amino-...)
Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N6O2/c1-13(24-10-15-6-16(11-24)8-17(7-15)12-24)27-23-29-20(28-22(26)30-23)18-4-2-14(3-5-18)9-19(25)21(31)32/h2-5,13,15-17,19H,6-12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t13?,15?,16?,17?,19-,24?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50003773
PNG
(8-(4-Chloro-benzenesulfonylamino)-5-(2-pyridin-3-y...)
Show SMILES OC(=O)CCCC(CCCNS(=O)(=O)c1ccc(Cl)cc1)CCc1cccnc1
Show InChI InChI=1S/C21H27ClN2O4S/c22-19-10-12-20(13-11-19)29(27,28)24-15-3-5-17(4-1-7-21(25)26)8-9-18-6-2-14-23-16-18/h2,6,10-14,16-17,24H,1,3-5,7-9,15H2,(H,25,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)


J Med Chem 35: 4366-72 (1992)


Article DOI: 10.1021/jm00101a014
BindingDB Entry DOI: 10.7270/Q2JW8CVB
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036407
PNG
(CHEMBL441101 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(cc(NC(=O)C(O)=O)cc2C(C)C)C(C)C)ccc1O
Show InChI InChI=1S/C23H29NO5/c1-12(2)17-11-16(7-8-20(17)25)29-21-18(13(3)4)9-15(10-19(21)14(5)6)24-22(26)23(27)28/h7-14,25H,1-6H3,(H,24,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243613
PNG
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O
Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243613
PNG
((S)-2-Amino-3-(4-(4-amino-6-((naphthalene-2-ylmeth...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1nc(N)nc(NCc2ccc3ccccc3c2)n1)C(O)=O
Show InChI InChI=1S/C23H22N6O2/c24-19(21(30)31)12-14-5-9-17(10-6-14)20-27-22(25)29-23(28-20)26-13-15-7-8-16-3-1-2-4-18(16)11-15/h1-11,19H,12-13,24H2,(H,30,31)(H3,25,26,27,28,29)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50243618
PNG
((2S)-2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(2...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccccc2-c2ccco2)C(F)(F)F)nc(N)n1)C(O)=O
Show InChI InChI=1S/C25H21F3N4O4/c26-25(27,28)22(17-5-2-1-4-16(17)20-6-3-11-35-20)36-21-13-19(31-24(30)32-21)15-9-7-14(8-10-15)12-18(29)23(33)34/h1-11,13,18,22H,12,29H2,(H,33,34)(H2,30,31,32)/t18-,22?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


J Med Chem 51: 3684-7 (2008)


Article DOI: 10.1021/jm800338j
BindingDB Entry DOI: 10.7270/Q2PK0FZM
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50300934
PNG
((2S)-2-amino-3-(4-(4-amino-6-(1-(biphenyl-4-yl)eth...)
Show SMILES CC(Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N6O2/c1-16(18-11-13-20(14-12-18)19-5-3-2-4-6-19)29-26-31-23(30-25(28)32-26)21-9-7-17(8-10-21)15-22(27)24(33)34/h2-14,16,22H,15,27H2,1H3,(H,33,34)(H3,28,29,30,31,32)/t16?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPH1 by continuous fluorescence assay


Bioorg Med Chem Lett 19: 5229-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.005
BindingDB Entry DOI: 10.7270/Q2MS3SV0
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 182 total )  |  Next  |  Last  >>
Jump to: