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SMILES: NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N

InChI Key: InChIKey=HVZJCIZSFTWSMN-UHFFFAOYSA-N

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 8 hits for monomerid = 377707   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
PDB
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PC sid
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n/an/a 1.40n/an/an/an/an/an/a



Institut Claudius Regaud



Assay Description
TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...


J Med Chem 48: 287-91 (2005)


BindingDB Entry DOI: 10.7270/Q2P271FD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
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n/an/a 0.370n/an/an/an/an/an/a



Institut Claudius Regaud



Assay Description
TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...


J Med Chem 48: 287-91 (2005)


BindingDB Entry DOI: 10.7270/Q2P271FD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
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n/an/a 3.30n/an/an/an/an/an/a



Institut Claudius Regaud



Assay Description
TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...


J Med Chem 48: 287-91 (2005)


BindingDB Entry DOI: 10.7270/Q2P271FD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
EGFR: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 20 μM ATP, 100 nM peptide subs...


US Patent US10815213 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
PDB
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...


US Patent US10815213 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
PDB
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PC cid
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UniChem
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n/an/a 0.370n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...


US Patent US10815213 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
PDB
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UniChem
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...


US Patent US10815213 (2020)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM377707
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.71E+3n/an/an/an/an/an/a



Institut Claudius Regaud



Assay Description
TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 20 μM ATP, 100 nM peptide substrate ...


J Med Chem 48: 287-91 (2005)


BindingDB Entry DOI: 10.7270/Q2P271FD
More data for this
Ligand-Target Pair