null

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

InChI Key: InChIKey=MCOXHAPTJCGWEO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50125243   

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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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 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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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 factor Xa 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)	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	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 factor Xa 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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	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 factor Xa 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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.60E+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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.60E+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 Binding affinity towards alpha4-beta2 nicotinic receptor was determined in rat brain membrane using [3H]cytisine as radioligand				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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.00E+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 Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings				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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30E+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 factor Xa 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))	BDBM50125243 (3-(3-Amino-4-chloro-phenyl)-5-ureidomethyl-4,5-dih...) Show SMILES NC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C23H22ClN7O5S/c24-16-7-5-13(9-17(16)25)18-10-23(36-31-18,12-29-22(26)33)21(32)30-20-8-6-14(11-28-20)15-3-1-2-4-19(15)37(27,34)35/h1-9,11H,10,12,25H2,(H3,26,29,33)(H2,27,34,35)(H,28,30,32)	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