BDBM50317098 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one::CHEMBL1095032::TAK-442

SMILES: c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O

InChI Key: InChIKey=GEHAEMCVKDPMKO-UHFFFAOYSA-N

Data: 1 KI  7 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 8 hits for monomerid = 50317098   

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)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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Prothrombin (Human)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor IX (Human)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Tissue-type plasminogen activator (Human)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Plasminogen (Human)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Human)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Human)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor X (Human)	BDBM50317098 (TAK-442 | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)s...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair