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SMILES: COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N

InChI Key: InChIKey=NFSMEYMZCSXINM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 43211   

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
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM43211 (6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22J698B
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM43211 (6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2T15221
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM43211 (6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	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
Ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM43211 (6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.59E+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/Q2SB4462
					More data for this Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM43211 (6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.55E+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
Bcl-2-related protein A1 (Mus musculus (Mouse))	BDBM43211 (6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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/Q25D8Q92
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM43211 (6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	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