BDBM50090022 4-(3,4-Difluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid [3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-propyl]-amide::CHEMBL90210

SMILES: Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccn1

InChI Key: InChIKey=MEJWDFXNVSXWGU-LMNIDFBRSA-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 = 50090022   

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))	BDBM50090022 (4-(3,4-Difluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-p...) Show SMILES Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccn1 |c:13| Show InChI InChI=1S/C24H27F2N5O2/c25-19-6-5-17(14-20(19)26)22-18(15-29-24(33)30-22)23(32)28-10-3-11-31-12-7-16(8-13-31)21-4-1-2-9-27-21/h1-2,4-6,9,14-16,18,22H,3,7-8,10-13H2,(H,28,32)(H,30,33)/t18?,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.				J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50090022 (4-(3,4-Difluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-p...) Show SMILES Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccn1 |c:13| Show InChI InChI=1S/C24H27F2N5O2/c25-19-6-5-17(14-20(19)26)22-18(15-29-24(33)30-22)23(32)28-10-3-11-31-12-7-16(8-13-31)21-4-1-2-9-27-21/h1-2,4-6,9,14-16,18,22H,3,7-8,10-13H2,(H,28,32)(H,30,33)/t18?,22-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1B adrenergic receptor stably expressed in LM cells.				J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50090022 (4-(3,4-Difluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-p...) Show SMILES Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccn1 |c:13| Show InChI InChI=1S/C24H27F2N5O2/c25-19-6-5-17(14-20(19)26)22-18(15-29-24(33)30-22)23(32)28-10-3-11-31-12-7-16(8-13-31)21-4-1-2-9-27-21/h1-2,4-6,9,14-16,18,22H,3,7-8,10-13H2,(H,28,32)(H,30,33)/t18?,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1D adrenergic receptor stably expressed in HEK cells.				J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM
					More data for this Ligand-Target Pair