BDBM50084996 1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahydro-4H-furo[3,4-d]pyrimidine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL300222

SMILES: COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1

InChI Key: InChIKey=KSCNWOYWUOCFLO-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 = 50084996   

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))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50084996 (1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16| Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
					More data for this Ligand-Target Pair