BindingDB PrimarySearch

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

SMILES: O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O

InChI Key: InChIKey=GEHAEMCVKDPMKO-HXUWFJFHSA-N

Data: 1 KI 7 IC50

PDB links: 1 PDB ID matches this monomer.

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/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human thrombin after 10 mins by chromogenic assay				J Med Chem 53: 3517-31 (2010) Article DOI: 10.1021/jm901699j BindingDB Entry DOI: 10.7270/Q2PR7W52
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human factor 9a after 10 mins by chromogenic assay				J Med Chem 53: 3517-31 (2010) Article DOI: 10.1021/jm901699j BindingDB Entry DOI: 10.7270/Q2PR7W52
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human plasmin after 5 mins by chromogenic assay				J Med Chem 53: 3517-31 (2010) Article DOI: 10.1021/jm901699j BindingDB Entry DOI: 10.7270/Q2PR7W52
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human factor 10a using S2222 as substrate after 10 mins by chromogenic assay				J Med Chem 53: 3517-31 (2010) Article DOI: 10.1021/jm901699j BindingDB Entry DOI: 10.7270/Q2PR7W52
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay				J Med Chem 53: 3517-31 (2010) Article DOI: 10.1021/jm901699j BindingDB Entry DOI: 10.7270/Q2PR7W52
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50317098 (1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of human tissue plasminogen activator after 5 mins by chromogenic assay				J Med Chem 53: 3517-31 (2010) Article DOI: 10.1021/jm901699j BindingDB Entry DOI: 10.7270/Q2PR7W52
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair