BDBM18043 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE::5-(pentan-3-yl)-5,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene-11,13-diamine::CHEMBL318721::GW345

SMILES: CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N

InChI Key: InChIKey=GCPJCLJGTVTGRF-UHFFFAOYSA-N

Data: 2 KI  2 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 = 18043   

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 (Yeast)	BDBM18043 (CHEMBL318721 | 5-(pentan-3-yl)-5,10,12-triazatricy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	6.4	30
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Dihydrofolate reductase (Human)	BDBM18043 (CHEMBL318721 | 5-(pentan-3-yl)-5,10,12-triazatricy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.0	30
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Yeast)	BDBM18043 (CHEMBL318721 | 5-(pentan-3-yl)-5,10,12-triazatricy...) Show SMILES Show InChI	GoogleScholar	UniChem		0.220	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)	BDBM18043 (CHEMBL318721 | 5-(pentan-3-yl)-5,10,12-triazatricy...) Show SMILES Show InChI	GoogleScholar	UniChem		4.5	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