BDBM50087635 ((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-carbamoyl}-4-guanidino-butyl)-carbamic acid benzyl ester; TFA::CHEMBL163543

SMILES: NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

InChI Key: InChIKey=KHLNJYFNXGLRIR-IEAUQHRDSA-N

Data: 6 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 6 hits for monomerid = 50087635   

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))	BDBM50087635 (((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/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	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 inhibition of human plasmin.				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087635 (((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/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	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human Coagulation factor X.				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087635 (((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/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	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM and Ramos cell VLA-4 interaction				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50087635 (((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/m1/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	115	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50087635 (((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/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	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM and Ramos cell VLA-4 interaction				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50087635 (((R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C22H35N9O5/c23-20(24)27-10-4-8-15(30-22(35)36-13-14-6-2-1-3-7-14)18(33)28-12-17(32)29-16-9-5-11-31(19(16)34)21(25)26/h1-3,6-7,15-16,19,34H,4-5,8-13H2,(H3,25,26)(H,28,33)(H,29,32)(H,30,35)(H4,23,24,27)/t15-,16+,19?/m1/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 inhibition of human thrombin.				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair