BDBM18070 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine::AR-100::Iclaprim

SMILES: COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N

InChI Key: InChIKey=HWJPWWYTGBZDEG-UHFFFAOYSA-N

Data: 4 KI  8 IC50

PDB links: 5 PDB IDs match 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 12 hits for monomerid = 18070   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	7.0	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	7.0	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	7.0	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	7.0	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.0	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		775	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM18070 (5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)me...) Show SMILES Show InChI	GoogleScholar	UniChem		775	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair