BDBM50392589 CHEMBL2153377

SMILES: CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=PAZJKYDHJYWSFA-UHFFFAOYSA-N

Data: 5 KI  1 IC50

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 = 50392589   

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))	BDBM50392589 (CHEMBL2153377) Show SMILES CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3| Show InChI InChI=1S/C24H23Cl2N5O4S/c1-3-27-14-22(32)31-36(2,35)18-8-4-15(5-9-18)23(33)29-20-10-6-16(25)12-19(20)24(34)30-21-11-7-17(26)13-28-21/h4-14,36H,3H2,1-2H3,(H,29,33)(H,28,30,34)(H,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Inhibition of F10a assessed as S-2765 substrate hydrolysis by microplate reader analysis				Eur J Med Chem 58: 136-52 (2012) Article DOI: 10.1016/j.ejmech.2012.10.005 BindingDB Entry DOI: 10.7270/Q2571D4Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50392589 (CHEMBL2153377) Show SMILES CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3| Show InChI InChI=1S/C24H23Cl2N5O4S/c1-3-27-14-22(32)31-36(2,35)18-8-4-15(5-9-18)23(33)29-20-10-6-16(25)12-19(20)24(34)30-21-11-7-17(26)13-28-21/h4-14,36H,3H2,1-2H3,(H,29,33)(H,28,30,34)(H,31,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Inhibition of thrombin assessed as S-2238 substrate hydrolysis by microplate reader analysis				Eur J Med Chem 58: 136-52 (2012) Article DOI: 10.1016/j.ejmech.2012.10.005 BindingDB Entry DOI: 10.7270/Q2571D4Q
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50392589 (CHEMBL2153377) Show SMILES CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3| Show InChI InChI=1S/C24H23Cl2N5O4S/c1-3-27-14-22(32)31-36(2,35)18-8-4-15(5-9-18)23(33)29-20-10-6-16(25)12-19(20)24(34)30-21-11-7-17(26)13-28-21/h4-14,36H,3H2,1-2H3,(H,29,33)(H,28,30,34)(H,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Inhibition of activated protein C assessed as S-2366 substrate hydrolysis by microplate reader analysis				Eur J Med Chem 58: 136-52 (2012) Article DOI: 10.1016/j.ejmech.2012.10.005 BindingDB Entry DOI: 10.7270/Q2571D4Q
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50392589 (CHEMBL2153377) Show SMILES CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3| Show InChI InChI=1S/C24H23Cl2N5O4S/c1-3-27-14-22(32)31-36(2,35)18-8-4-15(5-9-18)23(33)29-20-10-6-16(25)12-19(20)24(34)30-21-11-7-17(26)13-28-21/h4-14,36H,3H2,1-2H3,(H,29,33)(H,28,30,34)(H,31,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Inhibition of plasmin assessed as S-2302 substrate hydrolysis by microplate reader analysis				Eur J Med Chem 58: 136-52 (2012) Article DOI: 10.1016/j.ejmech.2012.10.005 BindingDB Entry DOI: 10.7270/Q2571D4Q
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50392589 (CHEMBL2153377) Show SMILES CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3| Show InChI InChI=1S/C24H23Cl2N5O4S/c1-3-27-14-22(32)31-36(2,35)18-8-4-15(5-9-18)23(33)29-20-10-6-16(25)12-19(20)24(34)30-21-11-7-17(26)13-28-21/h4-14,36H,3H2,1-2H3,(H,29,33)(H,28,30,34)(H,31,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Inhibition of tPA assessed as S-2288 substrate hydrolysis by microplate reader analysis				Eur J Med Chem 58: 136-52 (2012) Article DOI: 10.1016/j.ejmech.2012.10.005 BindingDB Entry DOI: 10.7270/Q2571D4Q
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50392589 (CHEMBL2153377) Show SMILES CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3| Show InChI InChI=1S/C24H23Cl2N5O4S/c1-3-27-14-22(32)31-36(2,35)18-8-4-15(5-9-18)23(33)29-20-10-6-16(25)12-19(20)24(34)30-21-11-7-17(26)13-28-21/h4-14,36H,3H2,1-2H3,(H,29,33)(H,28,30,34)(H,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Inhibition of human F10a using S-2765 as substrate after 45 mins				Eur J Med Chem 58: 136-52 (2012) Article DOI: 10.1016/j.ejmech.2012.10.005 BindingDB Entry DOI: 10.7270/Q2571D4Q
					More data for this Ligand-Target Pair