BDBM50349336 CHEMBL1809241

SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=VMWSTSFZJLCRPU-RPBOFIJWSA-N

Data: 4 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 4 hits for monomerid = 50349336   

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
Prothrombin (Homo sapiens (Human))	BDBM50349336 (CHEMBL1809241) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H39N7O5S/c30-27(31)23-10-8-21(9-11-23)19-33-28(38)25-7-4-16-36(25)29(39)24(12-13-26(37)35-17-14-32-15-18-35)34-42(40,41)20-22-5-2-1-3-6-22/h1-3,5-6,8-11,24-25,32,34H,4,7,12-20H2,(H3,30,31)(H,33,38)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.5	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				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
					More data for this Ligand-Target Pair
Transmembrane protease serine 11D (Homo sapiens (Human))	BDBM50349336 (CHEMBL1809241) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H39N7O5S/c30-27(31)23-10-8-21(9-11-23)19-33-28(38)25-7-4-16-36(25)29(39)24(12-13-26(37)35-17-14-32-15-18-35)34-42(40,41)20-22-5-2-1-3-6-22/h1-3,5-6,8-11,24-25,32,34H,4,7,12-20H2,(H3,30,31)(H,33,38)/t24-,25+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	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 recombinant airway trypsin-like protease HAT using D-cyclohexylalanine-Pro-Arg-AMC as substrate by fluorescence plate reader anal...				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50349336 (CHEMBL1809241) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H39N7O5S/c30-27(31)23-10-8-21(9-11-23)19-33-28(38)25-7-4-16-36(25)29(39)24(12-13-26(37)35-17-14-32-15-18-35)34-42(40,41)20-22-5-2-1-3-6-22/h1-3,5-6,8-11,24-25,32,34H,4,7,12-20H2,(H3,30,31)(H,33,38)/t24-,25+/m1/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	114	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				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50349336 (CHEMBL1809241) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H39N7O5S/c30-27(31)23-10-8-21(9-11-23)19-33-28(38)25-7-4-16-36(25)29(39)24(12-13-26(37)35-17-14-32-15-18-35)34-42(40,41)20-22-5-2-1-3-6-22/h1-3,5-6,8-11,24-25,32,34H,4,7,12-20H2,(H3,30,31)(H,33,38)/t24-,25+/m1/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	565	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				Bioorg Med Chem Lett 21: 4860-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.033 BindingDB Entry DOI: 10.7270/Q2ST7Q5M
					More data for this Ligand-Target Pair