BDBM210932 UCP1191

SMILES: CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=NQHZOWBSMCFILX-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 210932   

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
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus)	BDBM210932 (UCP1191) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut					Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).				Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (DfrK) (Staphylococcus aureus)	BDBM210932 (UCP1191) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut					Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).				Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DfrA) (Staphylococcus aureus)	BDBM210932 (UCP1191) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut					Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).				Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DfrG) (Staphylococcus aureus)	BDBM210932 (UCP1191) Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut					Assay Description IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).				Cell Chem Biol 23: 1458-1467 (2016) Article DOI: 10.1016/j.chembiol.2016.11.007 BindingDB Entry DOI: 10.7270/Q2NP2380
					More data for this Ligand-Target Pair