BDBM50243020 (S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-yl)ethylamino)-1,3,5-triazin-2-yl)phenyl)propanoic acid::2-amino-3-{4-[4-amino-6-(1-naphthalen-2-yl)-ethylamino)-[1,3,5]triazine-2-yl]-phenyl}-propionic acid::4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine::CHEMBL470084

SMILES: C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1

InChI Key: InChIKey=UXYOCRLZKBFANG-VLIAUNLRSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50243020   

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))	BDBM50243020 ((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...) Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant TPH1 by continuous fluorescence assay				Bioorg Med Chem Lett 19: 5229-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.005 BindingDB Entry DOI: 10.7270/Q2MS3SV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptophan 5-hydroxylase 1 (Homo sapiens (Human))	BDBM50243020 ((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...) Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of TPH1 (unknown origin)				J Med Chem 51: 3684-7 (2008) Article DOI: 10.1021/jm800338j BindingDB Entry DOI: 10.7270/Q2PK0FZM
					More data for this Ligand-Target Pair				3D Structure (crystal)