BDBM50232679 CHEMBL4068784

SMILES: NCc1ccnc(Cl)c1

InChI Key: InChIKey=GGHCWJWUOSNCSK-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50232679   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Rattus norvegicus)	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant rat LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 3 (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His10-tagged LOXL3 (1 to 753 residues) assessed as reduction in H2O2 production using DAP as substrate pre...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human LOXL2 expressed in CHO cells spiked into human whole blood assessed as reduction in H2O2 production using...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Mus musculus)	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant mouse LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair
Lysyl oxidase (Homo sapiens (Human))	BDBM50232679 (CHEMBL4068784) Show SMILES NCc1ccnc(Cl)c1 Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human LOX expressed in HEK cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair