BDBM79185 KG-KG::MLS002153720::SMR001231146::cid_24978595

SMILES: NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1

InChI Key: InChIKey=ABQNHAPFLYGJTR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 79185   

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))	BDBM79185 (KG-KG | MLS002153720 | SMR001231146 | cid_24978595) Show SMILES NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1 Show InChI InChI=1S/C60H104N18O7/c1-2-42-83-44-46-85-47-45-84-43-33-65-58-66-59(75-38-34-73(35-39-75)56(81)27-19-11-7-3-5-9-13-23-31-63-54(79)50-77-48-52(69-71-77)25-17-15-21-29-61)68-60(67-58)76-40-36-74(37-41-76)57(82)28-20-12-8-4-6-10-14-24-32-64-55(80)51-78-49-53(70-72-78)26-18-16-22-30-62/h1,48-49H,3-47,50-51,61-62H2,(H,63,79)(H,64,80)(H,65,66,67,68)	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	3.36E+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
Bfl-1 (Mus musculus (Mouse))	BDBM79185 (KG-KG | MLS002153720 | SMR001231146 | cid_24978595) Show SMILES NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1 Show InChI InChI=1S/C60H104N18O7/c1-2-42-83-44-46-85-47-45-84-43-33-65-58-66-59(75-38-34-73(35-39-75)56(81)27-19-11-7-3-5-9-13-23-31-63-54(79)50-77-48-52(69-71-77)25-17-15-21-29-61)68-60(67-58)76-40-36-74(37-41-76)57(82)28-20-12-8-4-6-10-14-24-32-64-55(80)51-78-49-53(70-72-78)26-18-16-22-30-62/h1,48-49H,3-47,50-51,61-62H2,(H,63,79)(H,64,80)(H,65,66,67,68)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.33E+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
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM79185 (KG-KG | MLS002153720 | SMR001231146 | cid_24978595) Show SMILES NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1 Show InChI InChI=1S/C60H104N18O7/c1-2-42-83-44-46-85-47-45-84-43-33-65-58-66-59(75-38-34-73(35-39-75)56(81)27-19-11-7-3-5-9-13-23-31-63-54(79)50-77-48-52(69-71-77)25-17-15-21-29-61)68-60(67-58)76-40-36-74(37-41-76)57(82)28-20-12-8-4-6-10-14-24-32-64-55(80)51-78-49-53(70-72-78)26-18-16-22-30-62/h1,48-49H,3-47,50-51,61-62H2,(H,63,79)(H,64,80)(H,65,66,67,68)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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))	BDBM79185 (KG-KG | MLS002153720 | SMR001231146 | cid_24978595) Show SMILES NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1 Show InChI InChI=1S/C60H104N18O7/c1-2-42-83-44-46-85-47-45-84-43-33-65-58-66-59(75-38-34-73(35-39-75)56(81)27-19-11-7-3-5-9-13-23-31-63-54(79)50-77-48-52(69-71-77)25-17-15-21-29-61)68-60(67-58)76-40-36-74(37-41-76)57(82)28-20-12-8-4-6-10-14-24-32-64-55(80)51-78-49-53(70-72-78)26-18-16-22-30-62/h1,48-49H,3-47,50-51,61-62H2,(H,63,79)(H,64,80)(H,65,66,67,68)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM79185 (KG-KG | MLS002153720 | SMR001231146 | cid_24978595) Show SMILES NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1 Show InChI InChI=1S/C60H104N18O7/c1-2-42-83-44-46-85-47-45-84-43-33-65-58-66-59(75-38-34-73(35-39-75)56(81)27-19-11-7-3-5-9-13-23-31-63-54(79)50-77-48-52(69-71-77)25-17-15-21-29-61)68-60(67-58)76-40-36-74(37-41-76)57(82)28-20-12-8-4-6-10-14-24-32-64-55(80)51-78-49-53(70-72-78)26-18-16-22-30-62/h1,48-49H,3-47,50-51,61-62H2,(H,63,79)(H,64,80)(H,65,66,67,68)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.49E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM79185 (KG-KG | MLS002153720 | SMR001231146 | cid_24978595) Show SMILES NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1 Show InChI InChI=1S/C60H104N18O7/c1-2-42-83-44-46-85-47-45-84-43-33-65-58-66-59(75-38-34-73(35-39-75)56(81)27-19-11-7-3-5-9-13-23-31-63-54(79)50-77-48-52(69-71-77)25-17-15-21-29-61)68-60(67-58)76-40-36-74(37-41-76)57(82)28-20-12-8-4-6-10-14-24-32-64-55(80)51-78-49-53(70-72-78)26-18-16-22-30-62/h1,48-49H,3-47,50-51,61-62H2,(H,63,79)(H,64,80)(H,65,66,67,68)	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	5.12E+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