BDBM27877 N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-3,11,11-trioxo-8,1-dithia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide::thiopyranothienopyrimidine, 1

SMILES: c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N

InChI Key: InChIKey=QHDIXGPUTSAIJX-UHFFFAOYSA-N

Data: 9 IC50

PDB links: 2 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 9 hits for monomerid = 27877   

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
Interstitial collagenase (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
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72 kDa type IV collagenase (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	7.5	22
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Stromelysin-1 (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	6.0	22
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Matrilysin (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
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Neutrophil collagenase (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	22
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Matrix metalloproteinase-9 (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
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Macrophage metalloelastase (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	22
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Collagenase 3 (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<25	n/a	n/a	n/a	n/a	7.5	22
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Matrix metalloproteinase-14 (Human)	BDBM27877 (N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
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