BDBM50090326 (R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-cyano-4-(2,4-difluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL295395

SMILES: CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1

InChI Key: InChIKey=WIVOLWKUZIBRAF-OAQYLSRUSA-N

Data: 7 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 7 hits for monomerid = 50090326   

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))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro antagonism at Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Selectivity screen against human Histamine H1 receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	842	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro antagonism at Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vivo inhibitory effect of the compound against alpha-2b Adrenergic receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro antagonism at Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vivo inhibitory effect of the compound against Alpha-2C adrenergic receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) Show SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30| Show InChI InChI=1S/C29H30F4N4O2/c1-18-27(21(16-26(38)36(18)2)19-4-7-23(31)25(33)14-19)28(39)35-10-3-11-37-12-8-29(17-34,9-13-37)22-6-5-20(30)15-24(22)32/h4-7,14-15,21H,3,8-13,16H2,1-2H3,(H,35,39)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vivo inhibitory effect against Alpha-2A adrenergic receptor				Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK
					More data for this Ligand-Target Pair