BDBM445666 Ex. 4/KM-06-78/(I-4)::US10683309, Example 4

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

InChI Key: InChIKey=YITCJRJDTZUJTI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 445666   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tryptophan 5-hydroxylase 1 (Homo sapiens (Human))	BDBM445666 (Ex. 4/KM-06-78/(I-4) | US10683309, Example 4 | US1...) Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)C(=O)OC)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N6O4/c1-3-29-21-20(22(31)27-24(29)33)30(13-15-7-9-16(10-8-15)23(32)34-2)19(26-21)12-17-14-28-11-5-4-6-18(28)25-17/h4-11,14H,3,12-13H2,1-2H3,(H,27,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM445666 (Ex. 4/KM-06-78/(I-4) | US10683309, Example 4 | US1...) Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)C(=O)OC)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N6O4/c1-3-29-21-20(22(31)27-24(29)33)30(13-15-7-9-16(10-8-15)23(32)34-2)19(26-21)12-17-14-28-11-5-4-6-18(28)25-17/h4-11,14H,3,12-13H2,1-2H3,(H,27,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM445666 (Ex. 4/KM-06-78/(I-4) | US10683309, Example 4 | US1...) Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)C(=O)OC)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N6O4/c1-3-29-21-20(22(31)27-24(29)33)30(13-15-7-9-16(10-8-15)23(32)34-2)19(26-21)12-17-14-28-11-5-4-6-18(28)25-17/h4-11,14H,3,12-13H2,1-2H3,(H,27,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM445666 (Ex. 4/KM-06-78/(I-4) | US10683309, Example 4 | US1...) Show SMILES CCn1c2nc(Cc3cn4ccccc4n3)n(Cc3ccc(cc3)C(=O)OC)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N6O4/c1-3-29-21-20(22(31)27-24(29)33)30(13-15-7-9-16(10-8-15)23(32)34-2)19(26-21)12-17-14-28-11-5-4-6-18(28)25-17/h4-11,14H,3,12-13H2,1-2H3,(H,27,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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