BDBM50087647 CHEMBL162277::[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-carbamoyl}-2-(1-carbamimidoyl-piperidin-4-yl)-ethyl]-carbamic acid methyl ester; TFA

SMILES: COC(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

InChI Key: InChIKey=UNUKBAHHIYWIIX-FTLRAWMYSA-N

Data: 1 KI  3 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 = 50087647   

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))	BDBM50087647 (CHEMBL162277 | [(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES COC(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C19H35N9O5/c1-33-19(32)26-13(9-11-4-7-27(8-5-11)17(20)21)15(30)24-10-14(29)25-12-3-2-6-28(16(12)31)18(22)23/h11-13,16,31H,2-10H2,1H3,(H3,20,21)(H3,22,23)(H,24,30)(H,25,29)(H,26,32)/t12-,13+,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against 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
Plasminogen (Homo sapiens (Human))	BDBM50087647 (CHEMBL162277 | [(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES COC(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C19H35N9O5/c1-33-19(32)26-13(9-11-4-7-27(8-5-11)17(20)21)15(30)24-10-14(29)25-12-3-2-6-28(16(12)31)18(22)23/h11-13,16,31H,2-10H2,1H3,(H3,20,21)(H3,22,23)(H,24,30)(H,25,29)(H,26,32)/t12-,13+,16?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Prothrombin (Homo sapiens (Human))	BDBM50087647 (CHEMBL162277 | [(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES COC(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C19H35N9O5/c1-33-19(32)26-13(9-11-4-7-27(8-5-11)17(20)21)15(30)24-10-14(29)25-12-3-2-6-28(16(12)31)18(22)23/h11-13,16,31H,2-10H2,1H3,(H3,20,21)(H3,22,23)(H,24,30)(H,25,29)(H,26,32)/t12-,13+,16?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50087647 (CHEMBL162277 | [(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES COC(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C19H35N9O5/c1-33-19(32)26-13(9-11-4-7-27(8-5-11)17(20)21)15(30)24-10-14(29)25-12-3-2-6-28(16(12)31)18(22)23/h11-13,16,31H,2-10H2,1H3,(H3,20,21)(H3,22,23)(H,24,30)(H,25,29)(H,26,32)/t12-,13+,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	412	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