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SMILES: Nc1ncnc2n(nc(-c3[nH]c4ncccc4c3Cl)c12)C1CCCC1

InChI Key: InChIKey=CAZLNMQWQAFXNI-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 6 hits for monomerid = 473736   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM473736
PNG
(3-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)- 1-cycl...)
Show SMILES Nc1ncnc2n(nc(-c3[nH]c4ncccc4c3Cl)c12)C1CCCC1
Show InChI InChI=1S/C17H16ClN7/c18-12-10-6-3-7-20-16(10)23-14(12)13-11-15(19)21-8-22-17(11)25(24-13)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,20,23)(H2,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
RET and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed ...


US Patent US10844067 (2020)


BindingDB Entry DOI: 10.7270/Q2HQ4308
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM473736
PNG
(3-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)- 1-cycl...)
Show SMILES Nc1ncnc2n(nc(-c3[nH]c4ncccc4c3Cl)c12)C1CCCC1
Show InChI InChI=1S/C17H16ClN7/c18-12-10-6-3-7-20-16(10)23-14(12)13-11-15(19)21-8-22-17(11)25(24-13)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,20,23)(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.29E+3n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
RET and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed ...


US Patent US10844067 (2020)


BindingDB Entry DOI: 10.7270/Q2HQ4308
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM473736
PNG
(3-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)- 1-cycl...)
Show SMILES Nc1ncnc2n(nc(-c3[nH]c4ncccc4c3Cl)c12)C1CCCC1
Show InChI InChI=1S/C17H16ClN7/c18-12-10-6-3-7-20-16(10)23-14(12)13-11-15(19)21-8-22-17(11)25(24-13)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,20,23)(H2,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 28.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4TVP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM473736
PNG
(3-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)- 1-cycl...)
Show SMILES Nc1ncnc2n(nc(-c3[nH]c4ncccc4c3Cl)c12)C1CCCC1
Show InChI InChI=1S/C17H16ClN7/c18-12-10-6-3-7-20-16(10)23-14(12)13-11-15(19)21-8-22-17(11)25(24-13)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,20,23)(H2,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4TVP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM473736
PNG
(3-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)- 1-cycl...)
Show SMILES Nc1ncnc2n(nc(-c3[nH]c4ncccc4c3Cl)c12)C1CCCC1
Show InChI InChI=1S/C17H16ClN7/c18-12-10-6-3-7-20-16(10)23-14(12)13-11-15(19)21-8-22-17(11)25(24-13)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,20,23)(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.29E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4TVP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM473736
PNG
(3-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)- 1-cycl...)
Show SMILES Nc1ncnc2n(nc(-c3[nH]c4ncccc4c3Cl)c12)C1CCCC1
Show InChI InChI=1S/C17H16ClN7/c18-12-10-6-3-7-20-16(10)23-14(12)13-11-15(19)21-8-22-17(11)25(24-13)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,20,23)(H2,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28.5n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
RET and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed ...


US Patent US10844067 (2020)


BindingDB Entry DOI: 10.7270/Q2HQ4308
More data for this
Ligand-Target Pair