BDBM18049 3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]methyl}-2,5-dimethylphenyl)methyl]sulfanyl}methanimidoyl)guanidine::imidothiocarbamate analogue, 1

SMILES: [H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N

InChI Key: InChIKey=UQMGTQSCMRRWFV-UHFFFAOYSA-N

Data: 1 KI  1 IC50  4 Kd

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 6 hits for monomerid = 18049   

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))	BDBM18049 (3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	75	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)	BDBM18049 (3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18049 (3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18049 (3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18049 (3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli (strain K12))	BDBM18049 (3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...) Show SMILES Show InChI	GoogleScholar	UniChem		11.5	-10.8	n/a	n/a	n/a	n/a	n/a	7.5	25
TBA									Citation and Details
					More data for this Ligand-Target Pair