BDBM50029505 5N-[4-amino(imino)methylamino-1-formyl-1-methyl-(1S)-butyl]-1-[2-methylamino-3-phenyl-(2S)-propanoyl]-(5S)-dihydro-1H-5-pyrrolecarboxamide::CHEMBL336471

SMILES: CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O

InChI Key: InChIKey=CVOKUEIRLXMZAG-SPEDKVCISA-N

Data: 5 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 5 hits for monomerid = 50029505   

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 (Bos taurus)	BDBM50029505 (5N-[4-amino(imino)methylamino-1-formyl-1-methyl-(1...) Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O Show InChI InChI=1S/C22H34N6O3/c1-22(15-29,11-7-12-26-21(23)24)27-19(30)18-10-6-13-28(18)20(31)17(25-2)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,25H,6-7,10-14H2,1-2H3,(H,27,30)(H4,23,24,26)/t17-,18-,22-/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	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Coagulation factor X				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50029505 (5N-[4-amino(imino)methylamino-1-formyl-1-methyl-(1...) Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O Show InChI InChI=1S/C22H34N6O3/c1-22(15-29,11-7-12-26-21(23)24)27-19(30)18-10-6-13-28(18)20(31)17(25-2)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,25H,6-7,10-14H2,1-2H3,(H,27,30)(H4,23,24,26)/t17-,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 Similars	PubMed	n/a	n/a	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50029505 (5N-[4-amino(imino)methylamino-1-formyl-1-methyl-(1...) Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O Show InChI InChI=1S/C22H34N6O3/c1-22(15-29,11-7-12-26-21(23)24)27-19(30)18-10-6-13-28(18)20(31)17(25-2)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,25H,6-7,10-14H2,1-2H3,(H,27,30)(H4,23,24,26)/t17-,18-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Thrombin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50029505 (5N-[4-amino(imino)methylamino-1-formyl-1-methyl-(1...) Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O Show InChI InChI=1S/C22H34N6O3/c1-22(15-29,11-7-12-26-21(23)24)27-19(30)18-10-6-13-28(18)20(31)17(25-2)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,25H,6-7,10-14H2,1-2H3,(H,27,30)(H4,23,24,26)/t17-,18-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50029505 (5N-[4-amino(imino)methylamino-1-formyl-1-methyl-(1...) Show SMILES CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O Show InChI InChI=1S/C22H34N6O3/c1-22(15-29,11-7-12-26-21(23)24)27-19(30)18-10-6-13-28(18)20(31)17(25-2)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,25H,6-7,10-14H2,1-2H3,(H,27,30)(H4,23,24,26)/t17-,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 Similars	PubMed	n/a	n/a	8.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Plasmin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair