BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=UWFUUDKUXRSKEG-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 = 445692   
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))
BDBM445692
PNG
(Ex. 28/KM-06-148/(I-28) | US10683309, Example 28 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(Cl)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C22H20ClN7O3S/c1-3-29-19-18(20(32)27-21(29)33)30(9-13-4-6-14(7-5-13)24-12(2)31)17(26-19)8-15-10-28-11-16(23)34-22(28)25-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,31)(H,27,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 116n/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))
BDBM445692
PNG
(Ex. 28/KM-06-148/(I-28) | US10683309, Example 28 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(Cl)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C22H20ClN7O3S/c1-3-29-19-18(20(32)27-21(29)33)30(9-13-4-6-14(7-5-13)24-12(2)31)17(26-19)8-15-10-28-11-16(23)34-22(28)25-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,31)(H,27,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 US11028104 (2021)

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


(Homo sapiens (Human))
BDBM445692
PNG
(Ex. 28/KM-06-148/(I-28) | US10683309, Example 28 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(Cl)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C22H20ClN7O3S/c1-3-29-19-18(20(32)27-21(29)33)30(9-13-4-6-14(7-5-13)24-12(2)31)17(26-19)8-15-10-28-11-16(23)34-22(28)25-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,31)(H,27,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 116n/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))
BDBM445692
PNG
(Ex. 28/KM-06-148/(I-28) | US10683309, Example 28 |...)
Show SMILES CCn1c2nc(Cc3cn4cc(Cl)sc4n3)n(Cc3ccc(NC(C)=O)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C22H20ClN7O3S/c1-3-29-19-18(20(32)27-21(29)33)30(9-13-4-6-14(7-5-13)24-12(2)31)17(26-19)8-15-10-28-11-16(23)34-22(28)25-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,31)(H,27,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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