BDBM50081089 CHEMBL315454::N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-8-methoxy-2-oxo-3-phenylmethanesulfonylamino-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide; TFA

SMILES: COc1ccc2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)c2c1

InChI Key: InChIKey=FEHUMILJOHPBKO-GAIPOIILSA-N

Data: 5 IC50

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 = 50081089   

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))	BDBM50081089 (CHEMBL315454 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...) Show SMILES COc1ccc2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)c2c1 Show InChI InChI=1S/C26H34N6O6S/c1-38-19-11-9-18-10-12-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22(18)14-19)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h2-4,6-7,9,11,14,20-21,24,30,34H,5,8,10,12-13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/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	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against human enzyme plasmin				Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50081089 (CHEMBL315454 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...) Show SMILES COc1ccc2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)c2c1 Show InChI InChI=1S/C26H34N6O6S/c1-38-19-11-9-18-10-12-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22(18)14-19)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h2-4,6-7,9,11,14,20-21,24,30,34H,5,8,10,12-13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/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	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against human enzyme Coagulation factor X				Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50081089 (CHEMBL315454 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...) Show SMILES COc1ccc2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)c2c1 Show InChI InChI=1S/C26H34N6O6S/c1-38-19-11-9-18-10-12-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22(18)14-19)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h2-4,6-7,9,11,14,20-21,24,30,34H,5,8,10,12-13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/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	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against human enzyme Coagulation factor X				Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50081089 (CHEMBL315454 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...) Show SMILES COc1ccc2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)c2c1 Show InChI InChI=1S/C26H34N6O6S/c1-38-19-11-9-18-10-12-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22(18)14-19)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h2-4,6-7,9,11,14,20-21,24,30,34H,5,8,10,12-13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro evaluation of inhibition of cleavage of the chromogenic substrate by human enzyme trypsin				Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50081089 (CHEMBL315454 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...) Show SMILES COc1ccc2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)c2c1 Show InChI InChI=1S/C26H34N6O6S/c1-38-19-11-9-18-10-12-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22(18)14-19)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h2-4,6-7,9,11,14,20-21,24,30,34H,5,8,10,12-13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against human enzyme thrombin				Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R
					More data for this Ligand-Target Pair