Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 409572   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluN1a/GluN2B expressed in CHO-T-REx cells assessed as inhibition of glutamate/glycine-induced re...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay depends on the binding of a tracer to the GluN2B subunit-containing NMDA receptors and the ability of the test compounds to displace such b...				US Patent US10377753 (2019) BindingDB Entry DOI: 10.7270/Q2CJ8GVK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO cells measured after 5 mins by Qpatch method				Citation and Details Article DOI: 10.1021/acs.jmedchem.9b02113 BindingDB Entry DOI: 10.7270/Q2V128JZ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from recombinant human ERG expressed in HEK293 cell membranes measured after 80 mins by TopCount scintillation analysi...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM409572 (N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]p...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542 BindingDB Entry DOI: 10.7270/Q2B85CG6
					More data for this Ligand-Target Pair