BDBM50110016 CHEMBL433510::Carbonic acid 2-[1-(4-carbamimidoyl-benzylcarbamoyl)-ethylcarbamoyl]-2-phenylmethanesulfonylamino-ethyl ester isobutyl ester

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

InChI Key: InChIKey=BZRUPWYKAWYNCC-PGRDOPGGSA-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 = 50110016   

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))	BDBM50110016 (CHEMBL433510 | Carbonic acid 2-[1-(4-carbamimidoyl...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H35N5O7S/c1-17(2)14-37-26(34)38-15-22(31-39(35,36)16-20-7-5-4-6-8-20)25(33)30-18(3)24(32)29-13-19-9-11-21(12-10-19)23(27)28/h4-12,17-18,22,31H,13-16H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	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))	BDBM50110016 (CHEMBL433510 | Carbonic acid 2-[1-(4-carbamimidoyl...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H35N5O7S/c1-17(2)14-37-26(34)38-15-22(31-39(35,36)16-20-7-5-4-6-8-20)25(33)30-18(3)24(32)29-13-19-9-11-21(12-10-19)23(27)28/h4-12,17-18,22,31H,13-16H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	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
Prothrombin (Homo sapiens (Human))	BDBM50110016 (CHEMBL433510 | Carbonic acid 2-[1-(4-carbamimidoyl...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H35N5O7S/c1-17(2)14-37-26(34)38-15-22(31-39(35,36)16-20-7-5-4-6-8-20)25(33)30-18(3)24(32)29-13-19-9-11-21(12-10-19)23(27)28/h4-12,17-18,22,31H,13-16H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	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
Plasminogen (Homo sapiens (Human))	BDBM50110016 (CHEMBL433510 | Carbonic acid 2-[1-(4-carbamimidoyl...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H35N5O7S/c1-17(2)14-37-26(34)38-15-22(31-39(35,36)16-20-7-5-4-6-8-20)25(33)30-18(3)24(32)29-13-19-9-11-21(12-10-19)23(27)28/h4-12,17-18,22,31H,13-16H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	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
Coagulation factor X (Homo sapiens (Human))	BDBM50110016 (CHEMBL433510 | Carbonic acid 2-[1-(4-carbamimidoyl...) Show SMILES CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H35N5O7S/c1-17(2)14-37-26(34)38-15-22(31-39(35,36)16-20-7-5-4-6-8-20)25(33)30-18(3)24(32)29-13-19-9-11-21(12-10-19)23(27)28/h4-12,17-18,22,31H,13-16H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	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