BDBM51886 2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester::2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester::MLS000771452::SMR000376804::cid_4838219::ethyl 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate::ethyl 2-azanyl-4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate

SMILES: CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1

InChI Key: InChIKey=PMNPXXJWQCKQNM-UHFFFAOYSA-N

Data: 5 IC50  3 EC50

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 8 hits for monomerid = 51886   

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
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.64E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25Q4THK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21Z42TP
					More data for this Ligand-Target Pair
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM51886 (2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...) Show SMILES CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7| Show InChI InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,23,25H,3,16H2,1-2H3,(H2,29,31)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair