BDBM47178 BDBM108103::US8598206, Table 6, 12

SMILES: NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=ZYKYKDNQGMXJQR-XZWHSSHBSA-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 = 47178   

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))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem.,...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem.,...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human FXa was determined by the method described in [0092]-[0098] using activated human Factor X from Enzyme Research Laboratories at 5...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human aPC was determined by the method described in [0092]-[0098] using human activated protein C from Enzyme Research Laboratories at ...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human FXIa was determined by the method described in [0092]-[0098] using activated human Factor XI from Enzyme Research Laboratories at...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1s (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1s was determined by the method described in [0092]-[0098] using native human activated C1s complement component from Calbioche...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Transcription initiation factor IIA (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human FIIa was determined by the method described in [0092]-[0098] using human alpha-thrombin from Enzyme Research Laboratories at 0.1 ...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human t-PA was determined by the method described in [0092]-[0098] using recombinant human tissue-type plasminogen activator (Actilyse&...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair