BDBM50087634 3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-carbamoyl}-2-(1-carbamimidoyl-piperidin-4-yl)-ethylsulfamoyl]-methyl}-benzoic acid methyl ester; TFA::CHEMBL163338

SMILES: COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1

InChI Key: InChIKey=VBLVLDUSKVIOPE-RCCQNZRSSA-N

Data: 4 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 4 hits for monomerid = 50087634   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50087634 (3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1 Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,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	2.20	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
Prothrombin (Homo sapiens (Human))	BDBM50087634 (3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1 Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,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
Trypsin-1 (Homo sapiens (Human))	BDBM50087634 (3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1 Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,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	145	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
Plasminogen (Homo sapiens (Human))	BDBM50087634 (3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...) Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1 Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,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	387	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