BDBM50087640 2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-carbamoyl}-2-(1-carbamimidoyl-piperidin-3-yl)-ethylsulfamoyl]-methyl}-benzoic acid methyl ester; TFA::CHEMBL352119

SMILES: COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

InChI Key: InChIKey=CWBPPDBIZLIFDM-UFFCEZGPSA-N

Data: 8 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 8 hits for monomerid = 50087640   

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))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/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	894	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
Prothrombin (Homo sapiens (Human))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/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 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
Coagulation factor X (Homo sapiens (Human))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/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	1.40	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))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA				Bioorg Med Chem Lett 10: 745-9 (2000) BindingDB Entry DOI: 10.7270/Q2D50M5R
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/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	1.95E+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 Coagulation factor X.				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))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/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	15	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))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA				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))	BDBM50087640 (2-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-8-3-2-7-17(18)15-43(40,41)33-20(12-16-6-4-10-34(14-16)25(27)28)22(37)31-13-21(36)32-19-9-5-11-35(23(19)38)26(29)30/h2-3,7-8,16,19-20,23,33,38H,4-6,9-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t16?,19-,20+,23?/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	124	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