BDBM161467 US9108978, 3.25

SMILES: CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12

InChI Key: InChIKey=JOAMEQGLLLPUCO-YUBBLUDWSA-N

Data: 3 KI  1 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 = 161467   

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
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.83E+3	-8.14	1.16E+4	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.41	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-6.41	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair