BDBM50452257 CHEMBL4205399

SMILES: CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1

InChI Key: InChIKey=GYBBSOIWVDROMG-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 = 50452257   

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
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Idorsia Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cav3.3 (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))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	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 T-type calcium channel (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	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-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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 T-type calcium channel (Homo sapiens (Human))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	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))	BDBM50452257 (CHEMBL4205399) Show SMILES CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Show InChI InChI=1S/C20H25F2N3O2/c1-14(2)16-5-3-15(4-6-16)11-19(26)23-18-8-10-25(24-18)12-17-7-9-20(21,22)13-27-17/h3-6,8,10,14,17H,7,9,11-13H2,1-2H3,(H,23,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	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