BDBM77606 (5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)-2-imino-1-imidazolidinyl]pentyl]-2-pyrrolidinyl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-(3-cyclopentylpropyl)-2-iminoimidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-4,5-dihydroimidazol-2-amine::MLS002471776::SMR001395191::[(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-3-(3-cyclopentylpropyl)-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-2-imidazolin-2-yl]amine::cid_44143147

SMILES: CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N

InChI Key: InChIKey=DDENXCKSMYUDOW-PNGGRJFUSA-N

Data: 4 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 4 hits for monomerid = 77606   

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
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655)	BDBM77606 ((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...) Show SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23| Show InChI InChI=1S/C35H59N7/c1-4-13-31(42-26-33(27(3)5-2)40(35(42)37)21-11-18-28-14-9-10-15-28)24-39-20-12-19-30(39)25-41-32(23-38-34(41)36)22-29-16-7-6-8-17-29/h6-8,16-17,27-28,30-33,37H,4-5,9-15,18-26H2,1-3H3,(H2,36,38)/t27-,30+,31+,32+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TB15CW
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM77606 ((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...) Show SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23| Show InChI InChI=1S/C35H59N7/c1-4-13-31(42-26-33(27(3)5-2)40(35(42)37)21-11-18-28-14-9-10-15-28)24-39-20-12-19-30(39)25-41-32(23-38-34(41)36)22-29-16-7-6-8-17-29/h6-8,16-17,27-28,30-33,37H,4-5,9-15,18-26H2,1-3H3,(H2,36,38)/t27-,30+,31+,32+,33+/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	1.09E+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))	BDBM77606 ((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...) Show SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23| Show InChI InChI=1S/C35H59N7/c1-4-13-31(42-26-33(27(3)5-2)40(35(42)37)21-11-18-28-14-9-10-15-28)24-39-20-12-19-30(39)25-41-32(23-38-34(41)36)22-29-16-7-6-8-17-29/h6-8,16-17,27-28,30-33,37H,4-5,9-15,18-26H2,1-3H3,(H2,36,38)/t27-,30+,31+,32+,33+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM77606 ((5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...) Show SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23| Show InChI InChI=1S/C35H59N7/c1-4-13-31(42-26-33(27(3)5-2)40(35(42)37)21-11-18-28-14-9-10-15-28)24-39-20-12-19-30(39)25-41-32(23-38-34(41)36)22-29-16-7-6-8-17-29/h6-8,16-17,27-28,30-33,37H,4-5,9-15,18-26H2,1-3H3,(H2,36,38)/t27-,30+,31+,32+,33+/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	8.52E+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