BDBM50452258 CHEMBL4208907

SMILES: Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F

InChI Key: InChIKey=ATAZIWXKOZRZRN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50452258   

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 3A4 (Homo sapiens (Human))	BDBM50452258 (CHEMBL4208907) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using testosterone as substrate preincubated for 30 mins				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM50452258 (CHEMBL4208907) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM50452258 (CHEMBL4208907) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50452258 (CHEMBL4208907) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.2 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair
Voltage-gated calcium channel (Homo sapiens (Human))	BDBM50452258 (CHEMBL4208907) Show SMILES Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F Show InChI InChI=1S/C21H18F3N5O2/c1-14-8-15(3-5-18(14)31-13-21(22,23)24)9-20(30)27-19-6-7-29(28-19)12-17-4-2-16(10-25)11-26-17/h2-8,11H,9,12-13H2,1H3,(H,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav1.2 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...				J Med Chem 60: 9769-9789 (2017) Article DOI: 10.1021/acs.jmedchem.7b01236 BindingDB Entry DOI: 10.7270/Q24M9745
					More data for this Ligand-Target Pair