BDBM50073429 CHEMBL82032::CHEMBL84575::N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetamide

SMILES: NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

InChI Key: InChIKey=PIIUKKBKYNGKMK-NBJLRHFZSA-N

Data: 10 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 10 hits for monomerid = 50073429   

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))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/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	101	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 was evaluated against human trypsin				Bioorg Med Chem Lett 8: 3683-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZP459T
					More data for this Ligand-Target Pair
Plasmin (Rattus norvegicus)	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 was evaluated against thrombolytic enzyme plasmin				Bioorg Med Chem Lett 8: 3683-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZP459T
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/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	40	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 was evaluated against Coagulation factor X				Bioorg Med Chem Lett 8: 3683-8 (1999) BindingDB Entry DOI: 10.7270/Q2ZP459T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.710	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
Coagulation factor X (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibitory activity against Coagulation factor X				Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/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	75	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 trypsin				Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/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
Prothrombin (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibitory activity against Coagulation factor II				Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibitory activity against human trypsin				Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50073429 (CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/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	21	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