BDBM50291004 4-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-3-(2-propyl-pentanoylamino)-butyric acid methyl ester::CHEMBL112726

SMILES: CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N

InChI Key: InChIKey=JCYOSRSLFRMEPO-TWTVVONZSA-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 = 50291004   

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))	BDBM50291004 (4-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarb...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C24H42N6O6/c1-4-8-15(9-5-2)20(32)28-17(14-19(31)36-3)23(35)29-12-7-11-18(29)21(33)27-16-10-6-13-30(22(16)34)24(25)26/h15-18,22,34H,4-14H2,1-3H3,(H3,25,26)(H,27,33)(H,28,32)/t16-,17-,18?,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	315	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme plasmin by 50%				Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50291004 (4-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarb...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C24H42N6O6/c1-4-8-15(9-5-2)20(32)28-17(14-19(31)36-3)23(35)29-12-7-11-18(29)21(33)27-16-10-6-13-30(22(16)34)24(25)26/h15-18,22,34H,4-14H2,1-3H3,(H3,25,26)(H,27,33)(H,28,32)/t16-,17-,18?,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit Coagulation factor X by 50%				Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50291004 (4-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarb...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C24H42N6O6/c1-4-8-15(9-5-2)20(32)28-17(14-19(31)36-3)23(35)29-12-7-11-18(29)21(33)27-16-10-6-13-30(22(16)34)24(25)26/h15-18,22,34H,4-14H2,1-3H3,(H3,25,26)(H,27,33)(H,28,32)/t16-,17-,18?,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme human trypsin by 50%				Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50291004 (4-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarb...) Show SMILES CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N Show InChI InChI=1S/C24H42N6O6/c1-4-8-15(9-5-2)20(32)28-17(14-19(31)36-3)23(35)29-12-7-11-18(29)21(33)27-16-10-6-13-30(22(16)34)24(25)26/h15-18,22,34H,4-14H2,1-3H3,(H3,25,26)(H,27,33)(H,28,32)/t16-,17-,18?,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme thrombin (FIIa) by 50%				Bioorg Med Chem Lett 7: 331-336 (1997) Article DOI: 10.1016/S0960-894X(97)00004-8 BindingDB Entry DOI: 10.7270/Q2Z03850
					More data for this Ligand-Target Pair