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SMILES: CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O

InChI Key: InChIKey=PWAILKFEUQGCNZ-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 4 hits for monomerid = 445669   
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
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM445669
PNG
(Ex. 7/KM-06-81/(I-7) | US10683309, Example 7 | US1...)
Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C26H24N8O2/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36)
PDB
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n/an/a 177n/an/an/an/an/an/a



MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V.

US Patent


Assay Description
The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...


US Patent US10683309 (2020)

More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM445669
PNG
(Ex. 7/KM-06-81/(I-7) | US10683309, Example 7 | US1...)
Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C26H24N8O2/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36)
PDB

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n/an/a 17n/an/an/an/an/an/a



MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V.

US Patent


Assay Description
The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...


US Patent US11028104 (2021)

More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM445669
PNG
(Ex. 7/KM-06-81/(I-7) | US10683309, Example 7 | US1...)
Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C26H24N8O2/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36)
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 177n/an/an/an/an/an/a



MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V.

US Patent


Assay Description
The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...


US Patent US11028104 (2021)

More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM445669
PNG
(Ex. 7/KM-06-81/(I-7) | US10683309, Example 7 | US1...)
Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C26H24N8O2/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36)
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V.

US Patent


Assay Description
The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...


US Patent US10683309 (2020)

More data for this
Ligand-Target Pair