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BDBM130919 US8822500, [18]

SMILES: CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1

InChI Key: InChIKey=BNPMMVDYMYENIM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 130919   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130919
PNG
(US8822500, [18])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.16n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM130919
PNG
(US8822500, [18])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.33n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM130919
PNG
(US8822500, [18])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.00E+3n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM130919
PNG
(US8822500, [18])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13.1n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130919
PNG
(US8822500, [18])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.688n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair