BDBM32098 3-(2-methylanilino)-2H-isoquinolin-1-one::3-(o-toluidino)isocarbostyril::3-[(2-methylphenyl)amino]-2H-isoquinolin-1-one::3-[(2-methylphenyl)amino]isoquinolin-1(2H)-one::MLS000043700::SMR000020712::cid_2142222

SMILES: Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=FTWYTJPFSFTVCV-UHFFFAOYSA-N

Data: 2 KI  16 IC50  2 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 20 hits for monomerid = 32098   

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
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	>4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	>4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NZ862K
					More data for this Ligand-Target Pair
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DF6PMF
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K072NW
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.23E+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 The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q29K48M5
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.24E+3	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 The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25T3HWF
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.23E+3	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 The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2BG2MCP
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.50E+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 The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2X928QK
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2SJ1J08
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NS0S8J
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J101KZ
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.21E+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 The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DB806H
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	8.75E+3	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 The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q28K77GS
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.84E+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/Q2V986G8
					More data for this Ligand-Target Pair
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.30E+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/Q2BP0175
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	616	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J67FB5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	7.4	23
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM32098 (3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...) Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N014W6
					More data for this Ligand-Target Pair