BDBM50425651 CHEMBL2315235

SMILES: C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3

InChI Key: InChIKey=YTOPOMUWWWKQQR-QZVHGAHDSA-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 = 50425651   

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))	BDBM50425651 (CHEMBL2315235) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/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	1.60	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
Trypsin (Sus scrofa)	BDBM50425651 (CHEMBL2315235) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	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
Plasma kallikrein (Homo sapiens (Human))	BDBM50425651 (CHEMBL2315235) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	242	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
Coagulation factor X (Homo sapiens (Human))	BDBM50425651 (CHEMBL2315235) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/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	3.70E+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
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50425651 (CHEMBL2315235) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+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))	BDBM50425651 (CHEMBL2315235) Show SMILES C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r| Show InChI InChI=1S/C43H51N9O6S/c1-28-24-52-26-40(54)48-36-18-12-31(13-19-36)21-38(50-59(57,58)27-33-6-4-3-5-7-33)43(56)49-37(42(55)46-22-32-8-14-34(15-9-32)41(44)45)20-30-10-16-35(17-11-30)47-39(53)25-51(28)23-29(52)2/h3-19,28-29,37-38,50H,20-27H2,1-2H3,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t28-,29-,37-,38+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.51E+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