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BDBM317041 N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5- carbonyl)-2,4-difluoro- phenyl]-2,5-difluoro- benzenesulfonamide::US9617267, Compound P-1107

SMILES: Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F

InChI Key: InChIKey=SJXWUCRWMDHAQR-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 317041   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM317041
PNG
(N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
Show InChI InChI=1S/C22H14F4N4O3S/c23-11-3-4-13(24)16(7-11)34(32,33)30-15-6-5-14(25)18(19(15)26)21(31)12-8-27-22-17(12)20(10-1-2-10)28-9-29-22/h3-10,30H,1-2H2,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.50E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM317041
PNG
(N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
Show InChI InChI=1S/C22H14F4N4O3S/c23-11-3-4-13(24)16(7-11)34(32,33)30-15-6-5-14(25)18(19(15)26)21(31)12-8-27-22-17(12)20(10-1-2-10)28-9-29-22/h3-10,30H,1-2H2,(H,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM317041
PNG
(N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
Show InChI InChI=1S/C22H14F4N4O3S/c23-11-3-4-13(24)16(7-11)34(32,33)30-15-6-5-14(25)18(19(15)26)21(31)12-8-27-22-17(12)20(10-1-2-10)28-9-29-22/h3-10,30H,1-2H2,(H,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM317041
PNG
(N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
Show InChI InChI=1S/C22H14F4N4O3S/c23-11-3-4-13(24)16(7-11)34(32,33)30-15-6-5-14(25)18(19(15)26)21(31)12-8-27-22-17(12)20(10-1-2-10)28-9-29-22/h3-10,30H,1-2H2,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM317041
PNG
(N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
Show InChI InChI=1S/C22H14F4N4O3S/c23-11-3-4-13(24)16(7-11)34(32,33)30-15-6-5-14(25)18(19(15)26)21(31)12-8-27-22-17(12)20(10-1-2-10)28-9-29-22/h3-10,30H,1-2H2,(H,27,28,29)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM317041
PNG
(N-[3-(4-Cyclopropyl-7H- pyrrolo[2,3-d]pyrimidine-5...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
Show InChI InChI=1S/C22H14F4N4O3S/c23-11-3-4-13(24)16(7-11)34(32,33)30-15-6-5-14(25)18(19(15)26)21(31)12-8-27-22-17(12)20(10-1-2-10)28-9-29-22/h3-10,30H,1-2H2,(H,27,28,29)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, whe...


US Patent US9617267 (2017)

More data for this
Ligand-Target Pair