BDBM50529421 CHEMBL4530872

SMILES: FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl

InChI Key: InChIKey=MITRKIWBJVJRAM-UHFFFAOYSA-N

Data: 7 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 = 50529421   

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
Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50529421 (CHEMBL4530872) Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl Show InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goldfinch Bio Inc. Curated by ChEMBL					Assay Description Inhibition of OAG-activated human TRPC6 channel expressed in HEK293 cells by Q-patch clamp assay				ACS Med Chem Lett 10: 1579-1585 (2019) Article DOI: 10.1021/acsmedchemlett.9b00430
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50529421 (CHEMBL4530872) Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl Show InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goldfinch Bio Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG stably expressed in HEK293 cells measured at holding potential of -90 mV by manual patch clamp assay				ACS Med Chem Lett 10: 1579-1585 (2019) Article DOI: 10.1021/acsmedchemlett.9b00430
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50529421 (CHEMBL4530872) Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl Show InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goldfinch Bio Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 stably expressed in CHO cells measured at holding potential of -80 mV by manual patch clamp assay				ACS Med Chem Lett 10: 1579-1585 (2019) Article DOI: 10.1021/acsmedchemlett.9b00430
					More data for this Ligand-Target Pair
Short transient receptor potential channel 4 (Homo sapiens)	BDBM50529421 (CHEMBL4530872) Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl Show InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Goldfinch Bio Inc. Curated by ChEMBL					Assay Description Inhibition of Englerin-activated human TRPC4 channel expressed in HEK293 cells by Q-patch clamp assay				ACS Med Chem Lett 10: 1579-1585 (2019) Article DOI: 10.1021/acsmedchemlett.9b00430
					More data for this Ligand-Target Pair
Transient receptor protein 5 (TRPC5) (Homo sapiens (Human))	BDBM50529421 (CHEMBL4530872) Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl Show InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Goldfinch Bio Inc. Curated by ChEMBL					Assay Description Inhibition of human TRPC5 channel expressed in HEK293 cells assessed as decrease in current amplitude treated for 3 mins measured between +80 mV and ...				ACS Med Chem Lett 10: 1579-1585 (2019) Article DOI: 10.1021/acsmedchemlett.9b00430
					More data for this Ligand-Target Pair
Transient receptor protein 5 (TRPC5) (Homo sapiens (Human))	BDBM50529421 (CHEMBL4530872) Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl Show InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Goldfinch Bio Inc. Curated by ChEMBL					Assay Description Inhibition of rosiglitazone-activated human TRPC5 channel expressed in HEK293 cells assessed as reduction in Ca2+ current measured at +80 mV with hol...				ACS Med Chem Lett 10: 1579-1585 (2019) Article DOI: 10.1021/acsmedchemlett.9b00430
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily C member 5 (Rattus norvegicus)	BDBM50529421 (CHEMBL4530872) Show SMILES FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl Show InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Goldfinch Bio Inc. Curated by ChEMBL					Assay Description Inhibition of rosiglitazone-activated rat TRPC5 channel expressed in HEK293 cells assessed as reduction in Ca2+ current measured at +80 mV with holdi...				ACS Med Chem Lett 10: 1579-1585 (2019) Article DOI: 10.1021/acsmedchemlett.9b00430
					More data for this Ligand-Target Pair