BindingDB logo
myBDB logout

BDBM284544 US10023570, Example 558::US10174027, Example 558

SMILES: Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCC3(CN(Cc4ccccc4)C3)C2)c2c(cnn2c1)C#N

InChI Key: InChIKey=ULCCAJXTNYUMSL-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 = 284544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RET Kinase (aa 658-1114)


(Homo sapiens (Human))
BDBM284544
PNG
(US10023570, Example 558 | US10174027, Example 558)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCC3(CN(Cc4ccccc4)C3)C2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H28N8/c1-35-17-26(15-33-35)24-11-27(29-25(12-31)14-34-38(29)18-24)23-7-8-28(32-13-23)37-10-9-30(21-37)19-36(20-30)16-22-5-3-2-4-6-22/h2-8,11,13-15,17-18H,9-10,16,19-21H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/a7.4n/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE -TK ...


US Patent US10023570 (2018)


BindingDB Entry DOI: 10.7270/Q2Q81G4V
More data for this
Ligand-Target Pair
RET Kinase (V804M) (aa658-end)


(Homo sapiens (Human))
BDBM284544
PNG
(US10023570, Example 558 | US10174027, Example 558)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCC3(CN(Cc4ccccc4)C3)C2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H28N8/c1-35-17-26(15-33-35)24-11-27(29-25(12-31)14-34-38(29)18-24)23-7-8-28(32-13-23)37-10-9-30(21-37)19-36(20-30)16-22-5-3-2-4-6-22/h2-8,11,13-15,17-18H,9-10,16,19-21H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 122n/an/an/an/a7.4n/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE -TK ...


US Patent US10023570 (2018)


BindingDB Entry DOI: 10.7270/Q2Q81G4V
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284544
PNG
(US10023570, Example 558 | US10174027, Example 558)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCC3(CN(Cc4ccccc4)C3)C2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H28N8/c1-35-17-26(15-33-35)24-11-27(29-25(12-31)14-34-38(29)18-24)23-7-8-28(32-13-23)37-10-9-30(21-37)19-36(20-30)16-22-5-3-2-4-6-22/h2-8,11,13-15,17-18H,9-10,16,19-21H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 122n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK a...


US Patent US10174028 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM284544
PNG
(US10023570, Example 558 | US10174027, Example 558)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCC3(CN(Cc4ccccc4)C3)C2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H28N8/c1-35-17-26(15-33-35)24-11-27(29-25(12-31)14-34-38(29)18-24)23-7-8-28(32-13-23)37-10-9-30(21-37)19-36(20-30)16-22-5-3-2-4-6-22/h2-8,11,13-15,17-18H,9-10,16,19-21H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 122n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK ...


US Patent US10174027 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284544
PNG
(US10023570, Example 558 | US10174027, Example 558)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCC3(CN(Cc4ccccc4)C3)C2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H28N8/c1-35-17-26(15-33-35)24-11-27(29-25(12-31)14-34-38(29)18-24)23-7-8-28(32-13-23)37-10-9-30(21-37)19-36(20-30)16-22-5-3-2-4-6-22/h2-8,11,13-15,17-18H,9-10,16,19-21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE-TK a...


US Patent US10174028 (2019)


BindingDB Entry DOI: 10.7270/Q2PR7Z2J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM284544
PNG
(US10023570, Example 558 | US10174027, Example 558)
Show SMILES Cn1cc(cn1)-c1cc(-c2ccc(nc2)N2CCC3(CN(Cc4ccccc4)C3)C2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C30H28N8/c1-35-17-26(15-33-35)24-11-27(29-25(12-31)14-34-38(29)18-24)23-7-8-28(32-13-23)37-10-9-30(21-37)19-36(20-30)16-22-5-3-2-4-6-22/h2-8,11,13-15,17-18H,9-10,16,19-21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Array BioPharma Inc

US Patent


Assay Description
Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio's HTRF® KinEASE¿-TK ...


US Patent US10174027 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8PRD
More data for this
Ligand-Target Pair