null

SMILES: NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O

InChI Key: InChIKey=JBMKSILOCSVHGX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 41839   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Z036KJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2T72FVT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N58JS6
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.40E+4	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: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV
					More data for this Ligand-Target Pair
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.84E+3	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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.35E+3	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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT
					More data for this Ligand-Target Pair
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.59E+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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.00E+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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM41839 (1-(3-chloro-1,4-diketo-2-naphthyl)isonipecotamide ...) Show SMILES NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C16H15ClN2O3/c17-12-13(19-7-5-9(6-8-19)16(18)22)15(21)11-4-2-1-3-10(11)14(12)20/h1-4,9H,5-8H2,(H2,18,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.88E+3	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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H
					More data for this Ligand-Target Pair