BDBM108111 US8598206, Table 6, 20

SMILES: NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=BQJXMSPBOZFQJJ-URLMMPGGSA-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 = 108111   

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))	BDBM108111 (US8598206, Table 6, 20) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H40N6O4S/c33-30(34)27-14-11-24(12-15-27)21-36-31(39)28(16-13-23-17-19-35-20-18-23)37-32(40)29(26-9-5-2-6-10-26)38-43(41,42)22-25-7-3-1-4-8-25/h1-12,14-15,23,28-29,35,38H,13,16-22H2,(H3,33,34)(H,36,39)(H,37,40)/t28-,29+/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	2.20	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 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))	BDBM108111 (US8598206, Table 6, 20) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H40N6O4S/c33-30(34)27-14-11-24(12-15-27)21-36-31(39)28(16-13-23-17-19-35-20-18-23)37-32(40)29(26-9-5-2-6-10-26)38-43(41,42)22-25-7-3-1-4-8-25/h1-12,14-15,23,28-29,35,38H,13,16-22H2,(H3,33,34)(H,36,39)(H,37,40)/t28-,29+/m0/s1	PDB UniProtKB/SwissProt 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 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
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM108111 (US8598206, Table 6, 20) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H40N6O4S/c33-30(34)27-14-11-24(12-15-27)21-36-31(39)28(16-13-23-17-19-35-20-18-23)37-32(40)29(26-9-5-2-6-10-26)38-43(41,42)22-25-7-3-1-4-8-25/h1-12,14-15,23,28-29,35,38H,13,16-22H2,(H3,33,34)(H,36,39)(H,37,40)/t28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	210	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))	BDBM108111 (US8598206, Table 6, 20) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H40N6O4S/c33-30(34)27-14-11-24(12-15-27)21-36-31(39)28(16-13-23-17-19-35-20-18-23)37-32(40)29(26-9-5-2-6-10-26)38-43(41,42)22-25-7-3-1-4-8-25/h1-12,14-15,23,28-29,35,38H,13,16-22H2,(H3,33,34)(H,36,39)(H,37,40)/t28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.00E+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 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
Coagulation factor X (Homo sapiens (Human))	BDBM108111 (US8598206, Table 6, 20) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H40N6O4S/c33-30(34)27-14-11-24(12-15-27)21-36-31(39)28(16-13-23-17-19-35-20-18-23)37-32(40)29(26-9-5-2-6-10-26)38-43(41,42)22-25-7-3-1-4-8-25/h1-12,14-15,23,28-29,35,38H,13,16-22H2,(H3,33,34)(H,36,39)(H,37,40)/t28-,29+/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	1.60E+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 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
Transcription initiation factor IIA (Homo sapiens (Human))	BDBM108111 (US8598206, Table 6, 20) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H40N6O4S/c33-30(34)27-14-11-24(12-15-27)21-36-31(39)28(16-13-23-17-19-35-20-18-23)37-32(40)29(26-9-5-2-6-10-26)38-43(41,42)22-25-7-3-1-4-8-25/h1-12,14-15,23,28-29,35,38H,13,16-22H2,(H3,33,34)(H,36,39)(H,37,40)/t28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70E+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