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SMILES: CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O

InChI Key: InChIKey=BKWIQGROOGVOLF-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 = 445694   
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))
BDBM445694
PNG
(Ex. 30/KM-06-150/(I-30) | US10683309, Example 30 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C23H23N7O3S/c1-4-29-20-19(21(32)27-22(29)33)30(11-15-5-7-16(8-6-15)24-14(3)31)18(26-20)9-17-12-28-10-13(2)34-23(28)25-17/h5-8,10,12H,4,9,11H2,1-3H3,(H,24,31)(H,27,32,33)
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n/an/a 56n/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)


BindingDB Entry DOI: 10.7270/Q2NG4TQ6
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM445694
PNG
(Ex. 30/KM-06-150/(I-30) | US10683309, Example 30 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C23H23N7O3S/c1-4-29-20-19(21(32)27-22(29)33)30(11-15-5-7-16(8-6-15)24-14(3)31)18(26-20)9-17-12-28-10-13(2)34-23(28)25-17/h5-8,10,12H,4,9,11H2,1-3H3,(H,24,31)(H,27,32,33)
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PC sid
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US Patent
n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2JM2DRC
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM445694
PNG
(Ex. 30/KM-06-150/(I-30) | US10683309, Example 30 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C23H23N7O3S/c1-4-29-20-19(21(32)27-22(29)33)30(11-15-5-7-16(8-6-15)24-14(3)31)18(26-20)9-17-12-28-10-13(2)34-23(28)25-17/h5-8,10,12H,4,9,11H2,1-3H3,(H,24,31)(H,27,32,33)
PDB
MMDB

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 56n/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)


BindingDB Entry DOI: 10.7270/Q2JM2DRC
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 2


(Homo sapiens (Human))
BDBM445694
PNG
(Ex. 30/KM-06-150/(I-30) | US10683309, Example 30 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(C)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C23H23N7O3S/c1-4-29-20-19(21(32)27-22(29)33)30(11-15-5-7-16(8-6-15)24-14(3)31)18(26-20)9-17-12-28-10-13(2)34-23(28)25-17/h5-8,10,12H,4,9,11H2,1-3H3,(H,24,31)(H,27,32,33)
PDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2NG4TQ6
More data for this
Ligand-Target Pair