BDBM45687 MLS000779368::N,N-Dimethyl-N'-(5-phenyl-1,2,3,4-tetrahydro-7-thia-6,9,11-triaza-benzo[c]fluoren-8-yl)-ethane-1,2-diam ine::SMR000416082::cid_1919081

SMILES: CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21

InChI Key: InChIKey=FUAUHVLEKGYOBZ-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 45687   

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
Factor XIIa (Homo sapiens (Human))	BDBM45687 (MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...) Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21 Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia 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
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM45687 (MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...) Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21 Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.06E+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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM45687 (MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...) Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21 Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.72E+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 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))	BDBM45687 (MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...) Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21 Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.30E+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
Bfl-1 (Mus musculus (Mouse))	BDBM45687 (MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...) Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21 Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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/Q25D8Q92
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM45687 (MLS000779368 | N,N-Dimethyl-N'-(5-phenyl-1,2,3...) Show SMILES CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21 Show InChI InChI=1S/C23H25N5S/c1-28(2)13-12-24-22-21-20(25-14-26-22)18-16-10-6-7-11-17(16)19(27-23(18)29-21)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,24,25,26)	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.37E+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/Q21Z42TP
					More data for this Ligand-Target Pair