BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50007460   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in human whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Mus musculus)
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in mouse whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509622
PNG
(CHEMBL4455462)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C(N)=O)n2c1
Show InChI InChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509619
PNG
(CHEMBL4440988)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509621
PNG
(CHEMBL4458215)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2nccn2c1
Show InChI InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282792
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H11F3N6/c19-12-3-1-11(2-4-12)17-18(26(10-24-17)9-15(20)21)14-5-6-16-23-8-13(7-22)27(16)25-14/h1-6,8,10,15H,9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282805
PNG
(6-(4-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidaz...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN6O/c19-13-3-1-12(2-4-13)17-18(24(7-8-26)11-22-17)15-5-6-16-21-10-14(9-20)25(16)23-15/h1-6,10-11,26H,7-8H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509620
PNG
(CHEMBL4534989)
Show SMILES Cc1cccc(c1)-c1ncn(C)c1-c1ccc2nccn2c1
Show InChI InChI=1S/C18H16N4/c1-13-4-3-5-14(10-13)17-18(21(2)12-20-17)15-6-7-16-19-8-9-22(16)11-15/h3-12H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Mus musculus)
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mouse NIH3T3 cells assessed as reduction in SMAD3 phosphorylation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282792
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H11F3N6/c19-12-3-1-11(2-4-12)17-18(26(10-24-17)9-15(20)21)14-5-6-16-23-8-13(7-22)27(16)25-14/h1-6,8,10,15H,9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reduction in SMAD2 nuclear translocation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509621
PNG
(CHEMBL4458215)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2nccn2c1
Show InChI InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reduction in SMAD2 nuclear translocation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509622
PNG
(CHEMBL4455462)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C(N)=O)n2c1
Show InChI InChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reduction in SMAD2 nuclear translocation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated human T cells assessed as reduction in SMAD3 phosphorylation preincubated for 1 hr followed by TGFbeta-...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reduction in SMAD2 nuclear translocation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282792
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H11F3N6/c19-12-3-1-11(2-4-12)17-18(26(10-24-17)9-15(20)21)14-5-6-16-23-8-13(7-22)27(16)25-14/h1-6,8,10,15H,9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduction in SMAD nuclear translocation preincubated for 1 hr followed by ...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in anti-CD3/anti-CD28/IL-2/TGFbeta -stimulated human Treg cells assessed as downregulation of FOXP3 expression incubated for ...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduction in SMAD nuclear translocation preincubated for 1 hr followed by ...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282805
PNG
(6-(4-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidaz...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN6O/c19-13-3-1-12(2-4-13)17-18(24(7-8-26)11-22-17)15-5-6-16-21-10-14(9-20)25(16)23-15/h1-6,10-11,26H,7-8H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reduction in SMAD2 nuclear translocation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509621
PNG
(CHEMBL4458215)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2nccn2c1
Show InChI InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduction in SMAD nuclear translocation preincubated for 1 hr followed by ...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509619
PNG
(CHEMBL4440988)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reduction in SMAD2 nuclear translocation


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509622
PNG
(CHEMBL4455462)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C(N)=O)n2c1
Show InChI InChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduction in SMAD nuclear translocation preincubated for 1 hr followed by ...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50509619
PNG
(CHEMBL4440988)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduction in SMAD nuclear translocation preincubated for 1 hr followed by ...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282805
PNG
(6-(4-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidaz...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN6O/c19-13-3-1-12(2-4-13)17-18(24(7-8-26)11-22-17)15-5-6-16-21-10-14(9-20)25(16)23-15/h1-6,10-11,26H,7-8H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduction in SMAD nuclear translocation preincubated for 1 hr followed by ...


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50509622
PNG
(CHEMBL4455462)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2ncc(C(N)=O)n2c1
Show InChI InChI=1S/C19H16F2N6O/c1-11-3-2-4-13(25-11)17-18(26(10-24-17)9-15(20)21)12-5-6-16-23-7-14(19(22)28)27(16)8-12/h2-8,10,15H,9H2,1H3,(H2,22,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50509619
PNG
(CHEMBL4440988)
Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.93E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50509620
PNG
(CHEMBL4534989)
Show SMILES Cc1cccc(c1)-c1ncn(C)c1-c1ccc2nccn2c1
Show InChI InChI=1S/C18H16N4/c1-13-4-3-5-14(10-13)17-18(21(2)12-20-17)15-6-7-16-19-8-9-22(16)11-15/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.71E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin) by HTRF assay


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50509621
PNG
(CHEMBL4458215)
Show SMILES Cc1cccc(n1)-c1ncn(CC(F)F)c1-c1ccc2nccn2c1
Show InChI InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM282792
PNG
(6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...)
Show SMILES FC(F)Cn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H11F3N6/c19-12-3-1-11(2-4-12)17-18(26(10-24-17)9-15(20)21)14-5-6-16-23-8-13(7-22)27(16)25-14/h1-6,8,10,15H,9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM282805
PNG
(6-(4-(4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidaz...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN6O/c19-13-3-1-12(2-4-13)17-18(24(7-8-26)11-22-17)15-5-6-16-21-10-14(9-20)25(16)23-15/h1-6,10-11,26H,7-8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP1A2 (unknown origin)


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C19 (unknown origin)


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 (unknown origin)


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2D6 (unknown origin)


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP3A4 (unknown origin)


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C8 (unknown origin)


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM282825
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)
Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a>2.40E+4n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Activation of PXR (unknown origin)


ACS Med Chem Lett 11: 172-178 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3
More data for this
Ligand-Target Pair