BDBM17462 1,2,3-triazole analogue, 18::5-(3-methylphenyl)-1H-1,2,3-triazole::CHEMBL194853

SMILES: Cc1cccc(c1)-c1c[nH]nn1

InChI Key: InChIKey=XQHCBHNLRWLGQS-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 17462   

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
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	18	-10.5	n/a	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 48: 5644-7 (2005) Article DOI: 10.1021/jm050408c BindingDB Entry DOI: 10.7270/Q26M3537
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	6.5	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at pH 6.5 after 60 mins by HPLC an...				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of mouse TDO in P815 clone 12 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of MetAp2				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM17462 (1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...) Show SMILES Cc1cccc(c1)-c1c[nH]nn1 Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of human IDO1 transfected in mouse P815B clone-6 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair