BDBM50380621 CHEMBL2016864

SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1

InChI Key: InChIKey=XNDGXBNDCNRYDE-IOLBBIBUSA-N

Data: 9 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 9 hits for monomerid = 50380621   

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))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	9.40	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...				US Patent US8921319 (2014) BindingDB Entry DOI: 10.7270/Q2RX99S6
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	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 plasmin by dixon plot method				J Med Chem 55: 1171-80 (2012) Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	868	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 plasma kallikrein by dixon plot method				J Med Chem 55: 1171-80 (2012) Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	868	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...				US Patent US8921319 (2014) BindingDB Entry DOI: 10.7270/Q2RX99S6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	6.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...				US Patent US8921319 (2014) BindingDB Entry DOI: 10.7270/Q2RX99S6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.52E+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 thrombin by dixon plot method				J Med Chem 55: 1171-80 (2012) Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	9.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previo...				US Patent US8921319 (2014) BindingDB Entry DOI: 10.7270/Q2RX99S6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.37E+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 factor 10a by dixon plot method				J Med Chem 55: 1171-80 (2012) Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50380621 (CHEMBL2016864) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r| Show InChI InChI=1S/C45H47N7O6S/c46-43(47)38-20-18-36(19-21-38)28-50-44(55)39-22-30-10-14-34(15-11-30)26-48-41(53)24-32-6-8-33(9-7-32)25-42(54)49-27-35-16-12-31(13-17-35)23-40(45(56)51-39)52-59(57,58)29-37-4-2-1-3-5-37/h1-21,39-40,52H,22-29H2,(H3,46,47)(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t39-,40+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	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 activated protein C by dixon plot method				J Med Chem 55: 1171-80 (2012) Article DOI: 10.1021/jm2011996 BindingDB Entry DOI: 10.7270/Q26T0NN4
					More data for this Ligand-Target Pair