new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'kitao' and Initial = 'y'   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094640
PNG
(CHEMBL140640 | N-(4-Amino-2-propyl-quinolin-6-yl)-...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H24ClN3O2/c1-2-5-19-15-24(28)23-14-20(10-13-25(23)29-19)30-26(31)22-7-4-3-6-17(22)16-32-21-11-8-18(27)9-12-21/h3-4,6-15H,2,5,16H2,1H3,(H2,28,29)(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094650
PNG
(CHEMBL434060 | N-(4-Amino-2-ethyl-quinolin-6-yl)-2...)
Show SMILES CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C25H22ClN3O2/c1-2-18-14-23(27)22-13-19(9-12-24(22)28-18)29-25(30)21-6-4-3-5-16(21)15-31-20-10-7-17(26)8-11-20/h3-14H,2,15H2,1H3,(H2,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094648
PNG
(CHEMBL139776 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C25H20F3N3O2/c1-15-12-22(29)21-13-18(8-11-23(21)30-15)31-24(32)20-5-3-2-4-16(20)14-33-19-9-6-17(7-10-19)25(26,27)28/h2-13H,14H2,1H3,(H2,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
1.80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094651
PNG
(CHEMBL342580 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.20n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094638
PNG
(CHEMBL337128 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)[N+]([O-])=O)ccc2n1
Show InChI InChI=1S/C24H20N4O4/c1-15-12-22(25)21-13-17(6-11-23(21)26-15)27-24(29)20-5-3-2-4-16(20)14-32-19-9-7-18(8-10-19)28(30)31/h2-13H,14H2,1H3,(H2,25,26)(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.30n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094642
PNG
(CHEMBL142454 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2n1
Show InChI InChI=1S/C24H20BrN3O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.60n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094646
PNG
(CHEMBL139934 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CN(C(=O)c1ccccc1COc1ccc(Cl)cc1)c1ccc2nc(C)cc(N)c2c1
Show InChI InChI=1S/C25H22ClN3O2/c1-16-13-23(27)22-14-19(9-12-24(22)28-16)29(2)25(30)21-6-4-3-5-17(21)15-31-20-10-7-18(26)8-11-20/h3-14H,15H2,1-2H3,(H2,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.5n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094636
PNG
(CHEMBL140103 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C25H23N3O2/c1-16-7-10-20(11-8-16)30-15-18-5-3-4-6-21(18)25(29)28-19-9-12-24-22(14-19)23(26)13-17(2)27-24/h3-14H,15H2,1-2H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
8.20n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
Article
PubMed
10n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094644
PNG
(CHEMBL140519 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES COc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C25H23N3O3/c1-16-13-23(26)22-14-18(7-12-24(22)27-16)28-25(29)21-6-4-3-5-17(21)15-31-20-10-8-19(30-2)9-11-20/h3-14H,15H2,1-2H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094639
PNG
(CHEMBL142999 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-12-21(26)19-13-17(10-11-22(19)27-15)28-24(29)18-7-3-2-6-16(18)14-30-23-9-5-4-8-20(23)25/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094647
PNG
(CHEMBL143605 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(Cl)c3)ccc2n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-11-22(26)21-13-18(9-10-23(21)27-15)28-24(29)20-8-3-2-5-16(20)14-30-19-7-4-6-17(25)12-19/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094649
PNG
(CHEMBL140580 | N-(1-Amino-3-methyl-isoquinolin-7-y...)
Show SMILES Cc1cc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc2c(N)n1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-12-16-6-9-19(13-22(16)23(26)27-15)28-24(29)21-5-3-2-4-17(21)14-30-20-10-7-18(25)8-11-20/h2-13H,14H2,1H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
37n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094637
PNG
(CHEMBL139566 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(O)cc3)ccc2n1
Show InChI InChI=1S/C24H21N3O3/c1-15-12-22(25)21-13-17(6-11-23(21)26-15)27-24(29)20-5-3-2-4-16(20)14-30-19-9-7-18(28)8-10-19/h2-13,28H,14H2,1H3,(H2,25,26)(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
47n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094635
PNG
(CHEMBL336238 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2n1
Show InChI InChI=1S/C24H21N3O2/c1-16-13-22(25)21-14-18(11-12-23(21)26-16)27-24(28)20-10-6-5-7-17(20)15-29-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H2,25,26)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
51n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094643
PNG
(CHEMBL358306 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1
Show InChI InChI=1S/C25H23N3O/c1-17-15-23(26)22-16-20(13-14-24(22)27-17)28-25(29)21-10-6-5-9-19(21)12-11-18-7-3-2-4-8-18/h2-10,13-16H,11-12H2,1H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
80n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094641
PNG
(CHEMBL422641 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(N)cc3)ccc2n1
Show InChI InChI=1S/C24H22N4O2/c1-15-12-22(26)21-13-18(8-11-23(21)27-15)28-24(29)20-5-3-2-4-16(20)14-30-19-9-6-17(25)7-10-19/h2-13H,14,25H2,1H3,(H2,26,27)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
82n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094645
PNG
(CHEMBL143243 | N-(4-Amino-quinolin-6-yl)-2-(4-chlo...)
Show SMILES Nc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C23H18ClN3O2/c24-16-5-8-18(9-6-16)29-14-15-3-1-2-4-19(15)23(28)27-17-7-10-22-20(13-17)21(25)11-12-26-22/h1-13H,14H2,(H2,25,26)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
86n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094652
PNG
(CHEMBL343424 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O/c1-17-7-9-19(10-8-17)11-12-20-5-3-4-6-22(20)26(30)29-21-13-14-25-23(16-21)24(27)15-18(2)28-25/h3-10,13-16H,11-12H2,1-2H3,(H2,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
89n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
103n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine (0.33 nM) binding from human Opioid receptor mu 1 expressed in CHO-K1 cells.


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094653
PNG
(CHEMBL141078 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3CCCc3ccccc3)ccc2n1
Show InChI InChI=1S/C26H25N3O/c1-18-16-24(27)23-17-21(14-15-25(23)28-18)29-26(30)22-13-6-5-11-20(22)12-7-10-19-8-3-2-4-9-19/h2-6,8-9,11,13-17H,7,10,12H2,1H3,(H2,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
121n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094654
PNG
(Biphenyl-2-carboxylic acid (4-amino-2-methyl-quino...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2n1
Show InChI InChI=1S/C23H19N3O/c1-15-13-21(24)20-14-17(11-12-22(20)25-15)26-23(27)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3,(H2,24,25)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
369n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.06E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole (0.55 nM) binding from human Opioid receptor kappa 1


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
8.65E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]naltrindole (0.55 nM) binding from human Opioid receptor delta 1 expressed in CHO-K1 cells.


J Med Chem 43: 4667-77 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3D9H
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428877
PNG
(CHEMBL2338480)
Show SMILES Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428878
PNG
(CHEMBL2338479)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(c2)C#N)c(Cl)c1
Show InChI InChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428881
PNG
(CHEMBL2331773)
Show SMILES CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1
Show InChI InChI=1S/C19H12Cl4N2O4S/c1-10(26)15-6-13(25-30(27,28)18-3-2-11(20)5-16(18)22)7-17(23)19(15)29-14-4-12(21)8-24-9-14/h2-9,25H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428884
PNG
(CHEMBL2331786)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-9-14(4-5-18(16)30-15-7-13(22)10-24-11-15)26-31(28,29)19-6-3-12(21)8-17(19)23/h3-11,26H,2H2,1H3,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428885
PNG
(CHEMBL2331781)
Show SMILES CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C19H13Cl3N2O4S/c1-11(25)16-8-14(3-4-18(16)28-15-6-13(21)9-23-10-15)24-29(26,27)19-5-2-12(20)7-17(19)22/h2-10,24H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428854
PNG
(CHEMBL1236924)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428883
PNG
(CHEMBL2331774)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H16BrClF3N3O5S/c1-2-28-20(30)16-9-14(4-5-17(16)33-15-8-13(23)10-27-11-15)29-35(31,32)19-6-3-12(22)7-18(19)34-21(24,25)26/h3-11,29H,2H2,1H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428882
PNG
(CHEMBL2331771)
Show SMILES Fc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1
Show InChI InChI=1S/C17H9Cl4FN2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428857
PNG
(CHEMBL2338472)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C21H13Cl3N2O3S/c22-14-5-8-21(18(24)10-14)30(27,28)26-15-6-7-20(17(23)11-15)29-16-9-13-3-1-2-4-19(13)25-12-16/h1-12,26H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428877
PNG
(CHEMBL2338480)
Show SMILES Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428887
PNG
(CHEMBL2338487)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C18H13Cl3N2O4S/c1-26-17-8-13(3-4-16(17)27-14-6-12(20)9-22-10-14)23-28(24,25)18-5-2-11(19)7-15(18)21/h2-10,23H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428865
PNG
(CHEMBL2338477)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-3-6-20(16(23)9-13)31(28,29)27-14-10-17(24)21(18(25)11-14)30-15-4-5-19-12(8-15)2-1-7-26-19/h1-11,27H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428868
PNG
(CHEMBL2331782)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C17H10Cl4N2O3S/c18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428864
PNG
(CHEMBL2331772)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C17H9Cl5N2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428858
PNG
(CHEMBL2338474)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C22H12Cl3F3N2O3S/c23-16-8-13(22(26,27)28)5-6-20(16)34(31,32)30-14-9-17(24)21(18(25)10-14)33-15-7-12-3-1-2-4-19(12)29-11-15/h1-11,30H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428874
PNG
(CHEMBL2331777)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H17ClIN3O4S/c1-2-24-20(26)18-10-15(25-30(27,28)17-6-3-14(22)4-7-17)5-8-19(18)29-16-9-13(21)11-23-12-16/h3-12,25H,2H2,1H3,(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428871
PNG
(CHEMBL2331785)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C21H18Cl3N3O4S/c1-3-26-21(28)16-8-14(4-5-19(16)31-15-7-13(22)10-25-11-15)27-32(29,30)20-6-12(2)17(23)9-18(20)24/h4-11,27H,3H2,1-2H3,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428878
PNG
(CHEMBL2338479)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(c2)C#N)c(Cl)c1
Show InChI InChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428856
PNG
(CHEMBL2338475)
Show SMILES CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1
Show InChI InChI=1S/C23H16Cl2N2O4S/c1-14(28)19-12-17(27-32(29,30)23-9-6-16(24)11-20(23)25)7-8-22(19)31-18-10-15-4-2-3-5-21(15)26-13-18/h2-13,27H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50428873
PNG
(CHEMBL2338481)
Show SMILES NC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H11Cl4N3O4S/c19-10-1-2-16(13(20)4-10)30(27,28)25-11-5-14(21)17(15(22)6-11)29-12-3-9(18(23)26)7-24-8-12/h1-8,25H,(H2,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428876
PNG
(CHEMBL2338478)
Show SMILES FC(F)(F)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(c1Oc1cncc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C19H9Cl3F6N2O3S/c20-9-1-2-16(15(22)4-9)34(31,32)30-11-5-13(18(23,24)25)17(14(6-11)19(26,27)28)33-12-3-10(21)7-29-8-12/h1-8,30H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428873
PNG
(CHEMBL2338481)
Show SMILES NC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C18H11Cl4N3O4S/c19-10-1-2-16(13(20)4-10)30(27,28)25-11-5-14(21)17(15(22)6-11)29-12-3-9(18(23)26)7-24-8-12/h1-8,25H,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428870
PNG
(CHEMBL2338482)
Show SMILES CC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Show InChI InChI=1S/C19H12Cl4N2O4S/c1-10(26)11-4-14(9-24-8-11)29-19-16(22)6-13(7-17(19)23)25-30(27,28)18-3-2-12(20)5-15(18)21/h2-9,25H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428880
PNG
(CHEMBL2331775)
Show SMILES CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C20H16Cl3N3O4S/c1-2-25-20(27)16-8-13(3-6-19(16)30-14-7-12(21)10-24-11-14)26-31(28,29)15-4-5-17(22)18(23)9-15/h3-11,26H,2H2,1H3,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428866
PNG
(CHEMBL2331783)
Show SMILES Fc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Show InChI InChI=1S/C17H10Cl3FN2O3S/c18-10-1-4-17(14(20)6-10)27(24,25)23-12-2-3-16(15(21)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 112 total )  |  Next  |  Last  >>
Jump to: