BDBM50262570 CHEMBL4080316

SMILES: Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1

InChI Key: InChIKey=HMGJBAAAVBBSDG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50262570   

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))	BDBM50262570 (CHEMBL4080316) Show SMILES Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C19H14FN5O2/c1-12-2-3-17(23-8-12)24-19(26)16-7-15(11-25-5-4-22-18(16)25)27-14-6-13(20)9-21-10-14/h2-11H,1H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50262570 (CHEMBL4080316) Show SMILES Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C19H14FN5O2/c1-12-2-3-17(23-8-12)24-19(26)16-7-15(11-25-5-4-22-18(16)25)27-14-6-13(20)9-21-10-14/h2-11H,1H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins ...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50262570 (CHEMBL4080316) Show SMILES Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C19H14FN5O2/c1-12-2-3-17(23-8-12)24-19(26)16-7-15(11-25-5-4-22-18(16)25)27-14-6-13(20)9-21-10-14/h2-11H,1H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization prein...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50262570 (CHEMBL4080316) Show SMILES Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C19H14FN5O2/c1-12-2-3-17(23-8-12)24-19(26)16-7-15(11-25-5-4-22-18(16)25)27-14-6-13(20)9-21-10-14/h2-11H,1H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins b...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50262570 (CHEMBL4080316) Show SMILES Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C19H14FN5O2/c1-12-2-3-17(23-8-12)24-19(26)16-7-15(11-25-5-4-22-18(16)25)27-14-6-13(20)9-21-10-14/h2-11H,1H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins ...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262570 (CHEMBL4080316) Show SMILES Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1 Show InChI InChI=1S/C19H14FN5O2/c1-12-2-3-17(23-8-12)24-19(26)16-7-15(11-25-5-4-22-18(16)25)27-14-6-13(20)9-21-10-14/h2-11H,1H3,(H,23,24,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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 Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate pretreated for 15 mins followed by NADPH addition measured after 8...				Bioorg Med Chem Lett 27: 4858-4866 (2017) Article DOI: 10.1016/j.bmcl.2017.09.042 BindingDB Entry DOI: 10.7270/Q2V1278Z
					More data for this Ligand-Target Pair