BDBM42195 2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone::2-anilino-3-(1-piperidinyl)naphthalene-1,4-dione::2-anilino-3-piperidin-1-ylnaphthalene-1,4-dione::2-anilino-3-piperidino-1,4-naphthoquinone::2-phenylazanyl-3-piperidin-1-yl-naphthalene-1,4-dione::MLS000528379::SMR000120954::cid_3147878

SMILES: O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12

InChI Key: InChIKey=ZTVZJPLQFQZWPX-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 42195   

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
YopH (Yersinia enterocolitica)	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+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 Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+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 Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+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 Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS
					More data for this Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3 (Homo sapiens (Human))	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	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	6.70E+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 (2010) BindingDB Entry DOI: 10.7270/Q27M06CD
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.28E+5	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
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.78E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Caspase-9 (Homo sapiens (Human))	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.09E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
protein artemis isoform a (Homo sapiens (Human))	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.89E+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 (2013) BindingDB Entry DOI: 10.7270/Q2MC8XP5
					More data for this Ligand-Target Pair
PPP5C protein (Homo sapiens (Human))	BDBM42195 (2-Phenylamino-3-piperidin-1-yl-[1,4]naphthoquinone...) Show SMILES O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10| Show InChI InChI=1S/C21H20N2O2/c24-20-16-11-5-6-12-17(16)21(25)19(23-13-7-2-8-14-23)18(20)22-15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.70E+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 (2010) BindingDB Entry DOI: 10.7270/Q23T9FN4
					More data for this Ligand-Target Pair