BDBM50252711 3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl}benzamide::CHEMBL493677

SMILES: CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1

InChI Key: InChIKey=HQZBFDAIHIKVRO-CXAGYDPISA-N

Data: 11 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 11 hits for monomerid = 50252711   

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))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human T-type Cav3.1 expressed in HEK293 cells at -80mV holding potential by whole cell patch clamp assay				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human T-type Cav3.3 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of sigma1 opioid receptor				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human L-type Cav1.2 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of T-type calcium channel alpha1I by FLIPR				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 5HT4 receptor				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of muscarinic M2 receptor				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histamine H1 receptor				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Voltage-gated T-type calcium channel (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human T-type Cav3.1 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50252711 (3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...) Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r| Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 51: 6471-7 (2008) Article DOI: 10.1021/jm800830n BindingDB Entry DOI: 10.7270/Q2N29WT4
					More data for this Ligand-Target Pair