BDBM18071 5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl}methyl)-N,N-dimethyl-1H-indole-2-carboxamide::AR-709

SMILES: COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC

InChI Key: InChIKey=ASSNCSVJAZEMQG-UHFFFAOYSA-N

Data: 4 KI  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 = 18071   

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)	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents		8	-11.2	50	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) Mutant (I100L) (Streptococcus pneumoniae (ATCC49619))	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents		9	-11.2	90	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Streptococcus pneumoniae)	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents		27	-10.5	50	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) Mutant (F98Y) (Staphylococcus aureus (subsp. aureus NCTC 8325))	BDBM18071 (5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...) Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents		90	-9.77	900	n/a	n/a	n/a	n/a	7.0	30
ARPIDA AG					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) BindingDB Entry DOI: 10.7270/Q2959FTP
					More data for this Ligand-Target Pair