BDBM50425650 CHEMBL2315238

SMILES: C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3

InChI Key: InChIKey=IZMQFNBELARFJP-ZSSLFURESA-N

Data: 6 KI

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 = 50425650   

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
Plasminogen (Homo sapiens (Human))	BDBM50425650 (CHEMBL2315238) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50425650 (CHEMBL2315238) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair
Trypsin (Sus scrofa)	BDBM50425650 (CHEMBL2315238) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50425650 (CHEMBL2315238) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human activated protein C using H-D-Lys(Cbz)-Pro-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50425650 (CHEMBL2315238) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human thrombin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50425650 (CHEMBL2315238) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C44H53N9O6S/c1-29-25-53-27-41(55)49-37-18-14-32(15-19-37)20-38(43(56)48-23-34-12-16-36(17-13-34)42(45)46)50-44(57)39(51-60(58,59)28-35-6-4-3-5-7-35)21-31-8-10-33(11-9-31)22-47-40(54)26-52(29)24-30(53)2/h3-19,29-30,38-39,51H,20-28H2,1-2H3,(H3,45,46)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30-,38-,39+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human factor Xa using CH3OCO-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair