BDBM79196 MLS002153601::SMR001230869::TG-IR::cid_24978573

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6@@H](-[#6])-[#8])nn1

InChI Key: InChIKey=RNLYVRKMBPOHNI-UNDPIUDWSA-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 = 79196   

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))	BDBM79196 (MLS002153601 | SMR001230869 | TG-IR | cid_24978573) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6@@H](-[#6])-[#8])nn1 Show InChI InChI=1S/C62H107N19O8/c1-5-39-87-41-43-89-44-42-88-40-30-68-60-69-61(78-35-31-76(32-36-78)56(84)25-19-15-11-7-9-13-17-21-27-65-55(83)49-80-47-53(72-74-80)46-51(4)82)71-62(70-60)79-37-33-77(34-38-79)57(85)26-20-16-12-8-10-14-18-22-28-66-58(86)54(24-23-29-67-59(63)64)81-48-52(73-75-81)45-50(3)6-2/h1,47-48,50-51,54,82H,6-46,49H2,2-4H3,(H,65,83)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t50-,51+,54-/m0/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	4.86E+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))	BDBM79196 (MLS002153601 | SMR001230869 | TG-IR | cid_24978573) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6@@H](-[#6])-[#8])nn1 Show InChI InChI=1S/C62H107N19O8/c1-5-39-87-41-43-89-44-42-88-40-30-68-60-69-61(78-35-31-76(32-36-78)56(84)25-19-15-11-7-9-13-17-21-27-65-55(83)49-80-47-53(72-74-80)46-51(4)82)71-62(70-60)79-37-33-77(34-38-79)57(85)26-20-16-12-8-10-14-18-22-28-66-58(86)54(24-23-29-67-59(63)64)81-48-52(73-75-81)45-50(3)6-2/h1,47-48,50-51,54,82H,6-46,49H2,2-4H3,(H,65,83)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t50-,51+,54-/m0/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	7.62E+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))	BDBM79196 (MLS002153601 | SMR001230869 | TG-IR | cid_24978573) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6@@H](-[#6])-[#8])nn1 Show InChI InChI=1S/C62H107N19O8/c1-5-39-87-41-43-89-44-42-88-40-30-68-60-69-61(78-35-31-76(32-36-78)56(84)25-19-15-11-7-9-13-17-21-27-65-55(83)49-80-47-53(72-74-80)46-51(4)82)71-62(70-60)79-37-33-77(34-38-79)57(85)26-20-16-12-8-10-14-18-22-28-66-58(86)54(24-23-29-67-59(63)64)81-48-52(73-75-81)45-50(3)6-2/h1,47-48,50-51,54,82H,6-46,49H2,2-4H3,(H,65,83)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t50-,51+,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.01E+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