null

SMILES: CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=ZVDBIMWPWVSMPA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50125242   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Coagulation factor X (Oryctolagus cuniculus)	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against Rabbit factor Xa was determined				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against Rabbit factor Xa was determined				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against trypsin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against trypsin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against trypsin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50125242 (3-(3-Amino-4-chloro-phenyl)-5-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:8| Show InChI InChI=1S/C23H23ClN6O6S2/c1-37(32,33)28-13-23(11-19(30-36-23)14-6-8-17(24)18(25)10-14)22(31)29-21-9-7-15(12-27-21)16-4-2-3-5-20(16)38(26,34)35/h2-10,12,28H,11,13,25H2,1H3,(H2,26,34,35)(H,27,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair