BDBM50110024 CHEMBL345435::Carbonic acid 2-{[(4-carbamimidoyl-benzylcarbamoyl)-methyl]-carbamoyl}-2-phenylmethanesulfonylamino-ethyl ester isobutyl ester

SMILES: CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=ADJQHSQKTGJTKA-OAQYLSRUSA-N

Data: 5 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 5 hits for monomerid = 50110024   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50110024 (CHEMBL345435 | Carbonic acid 2-{[(4-carbamimidoyl-...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C25H33N5O7S/c1-17(2)14-36-25(33)37-15-21(30-38(34,35)16-19-6-4-3-5-7-19)24(32)29-13-22(31)28-12-18-8-10-20(11-9-18)23(26)27/h3-11,17,21,30H,12-16H2,1-2H3,(H3,26,27)(H,28,31)(H,29,32)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50110024 (CHEMBL345435 | Carbonic acid 2-{[(4-carbamimidoyl-...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C25H33N5O7S/c1-17(2)14-36-25(33)37-15-21(30-38(34,35)16-19-6-4-3-5-7-19)24(32)29-13-22(31)28-12-18-8-10-20(11-9-18)23(26)27/h3-11,17,21,30H,12-16H2,1-2H3,(H3,26,27)(H,28,31)(H,29,32)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of plasminogen activator urokinase.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50110024 (CHEMBL345435 | Carbonic acid 2-{[(4-carbamimidoyl-...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C25H33N5O7S/c1-17(2)14-36-25(33)37-15-21(30-38(34,35)16-19-6-4-3-5-7-19)24(32)29-13-22(31)28-12-18-8-10-20(11-9-18)23(26)27/h3-11,17,21,30H,12-16H2,1-2H3,(H3,26,27)(H,28,31)(H,29,32)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor Xa.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50110024 (CHEMBL345435 | Carbonic acid 2-{[(4-carbamimidoyl-...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C25H33N5O7S/c1-17(2)14-36-25(33)37-15-21(30-38(34,35)16-19-6-4-3-5-7-19)24(32)29-13-22(31)28-12-18-8-10-20(11-9-18)23(26)27/h3-11,17,21,30H,12-16H2,1-2H3,(H3,26,27)(H,28,31)(H,29,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of Plasmin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50110024 (CHEMBL345435 | Carbonic acid 2-{[(4-carbamimidoyl-...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C25H33N5O7S/c1-17(2)14-36-25(33)37-15-21(30-38(34,35)16-19-6-4-3-5-7-19)24(32)29-13-22(31)28-12-18-8-10-20(11-9-18)23(26)27/h3-11,17,21,30H,12-16H2,1-2H3,(H3,26,27)(H,28,31)(H,29,32)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of thrombin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair