BDBM50090305 CHEMBL41994::N-[3-(4-Cyano-4-o-tolyl-piperidin-1-yl)-propyl]-2-(3,4-difluoro-phenyl)-3-methyl-butyramide

SMILES: CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1

InChI Key: InChIKey=HTUPLSKAYCKZRG-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50090305   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]HEAT to cloned human alpha-1B adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]HEAT to cloned human alpha-1B adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1D adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1D adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50090305 (CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...) Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]HEAT to cloned human alpha-1D adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
					More data for this Ligand-Target Pair