BDBM79256 KI-GK::MLS002153655::SMR001231033::cid_25162997

SMILES: CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1

InChI Key: InChIKey=CPKYNKSZTKIUEA-AHBZJFSJSA-N

Data: 3 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 3 hits for monomerid = 79256   

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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM79256 (KI-GK | MLS002153655 | SMR001231033 | cid_25162997) Show SMILES CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1 Show InChI InChI=1S/C64H112N18O7/c1-5-45-87-47-49-89-50-48-88-46-36-69-62-70-63(79-41-37-77(38-42-79)57(83)30-21-15-11-7-9-13-17-26-34-67-60(85)56(29-23-25-33-66)81-51-54(4)73-75-81)72-64(71-62)80-43-39-78(40-44-80)58(84)31-22-16-12-8-10-14-18-27-35-68-61(86)59(53(3)6-2)82-52-55(74-76-82)28-20-19-24-32-65/h1,51-53,56,59H,6-50,65-66H2,2-4H3,(H,67,85)(H,68,86)(H,69,70,71,72)/t53-,56+,59-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.23E+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))	BDBM79256 (KI-GK | MLS002153655 | SMR001231033 | cid_25162997) Show SMILES CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1 Show InChI InChI=1S/C64H112N18O7/c1-5-45-87-47-49-89-50-48-88-46-36-69-62-70-63(79-41-37-77(38-42-79)57(83)30-21-15-11-7-9-13-17-26-34-67-60(85)56(29-23-25-33-66)81-51-54(4)73-75-81)72-64(71-62)80-43-39-78(40-44-80)58(84)31-22-16-12-8-10-14-18-27-35-68-61(86)59(53(3)6-2)82-52-55(74-76-82)28-20-19-24-32-65/h1,51-53,56,59H,6-50,65-66H2,2-4H3,(H,67,85)(H,68,86)(H,69,70,71,72)/t53-,56+,59-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.15E+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/Q2X34VX0
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM79256 (KI-GK | MLS002153655 | SMR001231033 | cid_25162997) Show SMILES CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1 Show InChI InChI=1S/C64H112N18O7/c1-5-45-87-47-49-89-50-48-88-46-36-69-62-70-63(79-41-37-77(38-42-79)57(83)30-21-15-11-7-9-13-17-26-34-67-60(85)56(29-23-25-33-66)81-51-54(4)73-75-81)72-64(71-62)80-43-39-78(40-44-80)58(84)31-22-16-12-8-10-14-18-27-35-68-61(86)59(53(3)6-2)82-52-55(74-76-82)28-20-19-24-32-65/h1,51-53,56,59H,6-50,65-66H2,2-4H3,(H,67,85)(H,68,86)(H,69,70,71,72)/t53-,56+,59-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.02E+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/Q25D8Q92
					More data for this Ligand-Target Pair