BDBM50091721 (S)-3-{(1S,3R)-3-[4-(2-Cyano-phenyl)-piperidin-1-yl]-cyclopentylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL292365

SMILES: COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC

InChI Key: InChIKey=JWAHBXONODWUEH-CTWZREHQSA-N

Data: 3 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 3 hits for monomerid = 50091721   

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))	BDBM50091721 ((S)-3-{(1S,3R)-3-[4-(2-Cyano-phenyl)-piperidin-1-y...) Show SMILES COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C32H35F2N5O5/c1-43-18-27-28(30(40)44-2)29(20-7-10-25(33)26(34)15-20)39(32(42)37-27)31(41)36-22-8-9-23(16-22)38-13-11-19(12-14-38)24-6-4-3-5-21(24)17-35/h3-7,10,15,19,22-23,29H,8-9,11-14,16,18H2,1-2H3,(H,36,41)(H,37,42)/t22-,23+,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]HEAT from human Alpha-1A adrenergic receptor stably expressed in CHO cells				Bioorg Med Chem Lett 10: 1917-20 (2001) BindingDB Entry DOI: 10.7270/Q2KH0NWK
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50091721 ((S)-3-{(1S,3R)-3-[4-(2-Cyano-phenyl)-piperidin-1-y...) Show SMILES COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C32H35F2N5O5/c1-43-18-27-28(30(40)44-2)29(20-7-10-25(33)26(34)15-20)39(32(42)37-27)31(41)36-22-8-9-23(16-22)38-13-11-19(12-14-38)24-6-4-3-5-21(24)17-35/h3-7,10,15,19,22-23,29H,8-9,11-14,16,18H2,1-2H3,(H,36,41)(H,37,42)/t22-,23+,29-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]HEAT from human Alpha-1B adrenergic receptor stably expressed in LM cells				Bioorg Med Chem Lett 10: 1917-20 (2001) BindingDB Entry DOI: 10.7270/Q2KH0NWK
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50091721 ((S)-3-{(1S,3R)-3-[4-(2-Cyano-phenyl)-piperidin-1-y...) Show SMILES COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C32H35F2N5O5/c1-43-18-27-28(30(40)44-2)29(20-7-10-25(33)26(34)15-20)39(32(42)37-27)31(41)36-22-8-9-23(16-22)38-13-11-19(12-14-38)24-6-4-3-5-21(24)17-35/h3-7,10,15,19,22-23,29H,8-9,11-14,16,18H2,1-2H3,(H,36,41)(H,37,42)/t22-,23+,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]HEAT from human Alpha-1D adrenergic receptor stably expressed in HL cells				Bioorg Med Chem Lett 10: 1917-20 (2001) BindingDB Entry DOI: 10.7270/Q2KH0NWK
					More data for this Ligand-Target Pair