BDBM50047700 CHEMBL3314850

SMILES: Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1

InChI Key: InChIKey=UEUUWJVQGWZIJY-UHFFFAOYSA-N

Data: 1 KI  7 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 8 hits for monomerid = 50047700   

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
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxyPEPy from rat mGlu5 expressed in HEK293A cells after 1 hr by scintillation counting method				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in pooled human liver microsomes in presence of NADPH				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in pooled human liver microsomes in presence of NADPH				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at rat mGlu5 expressed in HEK293A cells assessed as reduction in glutamate-induced calcium mobilization				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at human mGlu5 assessed as reduction in glutamate-induced calcium mobilization				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in pooled human liver microsomes in presence of NADPH				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulator activity at rat mGlu5 expressed in HEK293A cells assessed as reduction in glutamate-induced calcium mobilization				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50047700 (CHEMBL3314850) Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1 Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in pooled human liver microsomes in presence of NADPH				Bioorg Med Chem Lett 24: 3307-14 (2014) Article DOI: 10.1016/j.bmcl.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ZW1NJP
					More data for this Ligand-Target Pair