BDBM12595 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE::4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one::CHEMBL157813::Ketopiperazine::RPR208944

SMILES: c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl

InChI Key: InChIKey=NZNFLUOJACWZKX-UHFFFAOYSA-N

Data: 6 KI

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 = 12595   

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
Coagulation factor X (Human)	BDBM12595 (CHEMBL157813 | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULF...) Show SMILES Show InChI	GoogleScholar	UniChem		3	-11.5	n/a	n/a	n/a	n/a	n/a	7.5	22
TBA									Citation and Details
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Coagulation factor X (Human)	BDBM12595 (CHEMBL157813 | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULF...) Show SMILES Show InChI	GoogleScholar	UniChem		3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine protease 1 (Bovine)	BDBM12595 (CHEMBL157813 | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULF...) Show SMILES Show InChI	GoogleScholar	UniChem		>2.90E+3	>-7.47	n/a	n/a	n/a	n/a	n/a	7.5	22
TBA									Citation and Details
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Serine protease 1 (Human)	BDBM12595 (CHEMBL157813 | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULF...) Show SMILES Show InChI	GoogleScholar	UniChem		>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Prothrombin (Human)	BDBM12595 (CHEMBL157813 | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULF...) Show SMILES Show InChI	GoogleScholar	UniChem		>3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Prothrombin (Human)	BDBM12595 (CHEMBL157813 | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULF...) Show SMILES Show InChI	GoogleScholar	UniChem		>4.00E+3	>-7.28	n/a	n/a	n/a	n/a	n/a	7.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair