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BDBM283527 N-((4,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3- b]pyridin-5-yl)methyl)-2-((3- (trifluoromethyl)quinolin-6- yl)methyl)isonicotinamide::US10023557, Example 176::US10308637, Example 176

SMILES: Cc1nc2NCCc2c(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1

InChI Key: InChIKey=VVONGBLBROSHAM-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 283527   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM283527
PNG
(N-((4,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3- b]pyr...)
Show SMILES Cc1nc2NCCc2c(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3N5O/c1-15-22-6-8-32-25(22)35-16(2)23(15)14-34-26(36)18-5-7-31-21(12-18)10-17-3-4-24-19(9-17)11-20(13-33-24)27(28,29)30/h3-5,7,9,11-13H,6,8,10,14H2,1-2H3,(H,32,35)(H,34,36)
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US Patent
n/an/a<100n/an/an/an/a7.5n/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10023557 (2018)


BindingDB Entry DOI: 10.7270/Q2BZ6839
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM283527
PNG
(N-((4,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3- b]pyr...)
Show SMILES Cc1nc2NCCc2c(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3N5O/c1-15-22-6-8-32-25(22)35-16(2)23(15)14-34-26(36)18-5-7-31-21(12-18)10-17-3-4-24-19(9-17)11-20(13-33-24)27(28,29)30/h3-5,7,9,11-13H,6,8,10,14H2,1-2H3,(H,32,35)(H,34,36)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10308637 (2019)


BindingDB Entry DOI: 10.7270/Q25141K2
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283527
PNG
(N-((4,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3- b]pyr...)
Show SMILES Cc1nc2NCCc2c(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F3N5O/c1-15-22-6-8-32-25(22)35-16(2)23(15)14-34-26(36)18-5-7-31-21(12-18)10-17-3-4-24-19(9-17)11-20(13-33-24)27(28,29)30/h3-5,7,9,11-13H,6,8,10,14H2,1-2H3,(H,32,35)(H,34,36)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 550n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)


BindingDB Entry DOI: 10.7270/Q2BZ6839
More data for this
Ligand-Target Pair