BDBM50189360 (1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid ((S)-2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide::(1S,9S)-N-((2R,3S)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl)-9-(isoquinoline-1-carboxamido)-6,10-dioxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxamide

SMILES: CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12

InChI Key: InChIKey=CXAGHAZMQSCAKJ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50189360   

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
Caspase-1 (Human)	BDBM50189360 ((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
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Caspase-8 (Human)	BDBM50189360 ((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-1 (Human)	BDBM50189360 ((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-3 (Human)	BDBM50189360 ((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-1 (Human)	BDBM50189360 ((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-8 (Human)	BDBM50189360 ((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Caspase-1 (Human)	BDBM50189360 ((1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair