BDBM50029503 (S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbonyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-1-methyl-butyl)-amide::CHEMBL343518

SMILES: C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O

InChI Key: InChIKey=AUQDSRLBJBDQCK-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 = 50029503   

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))	BDBM50029503 ((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...) Show SMILES C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C22H32N6O3/c1-22(14-29,9-5-10-25-21(23)24)27-19(30)18-8-4-11-28(18)20(31)17-12-15-6-2-3-7-16(15)13-26-17/h2-3,6-7,14,17-18,26H,4-5,8-13H2,1H3,(H,27,30)(H4,23,24,25)/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	7.40E+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 Plasmin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50029503 ((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...) Show SMILES C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C22H32N6O3/c1-22(14-29,9-5-10-25-21(23)24)27-19(30)18-8-4-11-28(18)20(31)17-12-15-6-2-3-7-16(15)13-26-17/h2-3,6-7,14,17-18,26H,4-5,8-13H2,1H3,(H,27,30)(H4,23,24,25)/t17-,18-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+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
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50029503 ((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...) Show SMILES C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C22H32N6O3/c1-22(14-29,9-5-10-25-21(23)24)27-19(30)18-8-4-11-28(18)20(31)17-12-15-6-2-3-7-16(15)13-26-17/h2-3,6-7,14,17-18,26H,4-5,8-13H2,1H3,(H,27,30)(H4,23,24,25)/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
Trypsin (Bos taurus (bovine))	BDBM50029503 ((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...) Show SMILES C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C22H32N6O3/c1-22(14-29,9-5-10-25-21(23)24)27-19(30)18-8-4-11-28(18)20(31)17-12-15-6-2-3-7-16(15)13-26-17/h2-3,6-7,14,17-18,26H,4-5,8-13H2,1H3,(H,27,30)(H4,23,24,25)/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	8.80E+4	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
Coagulation factor X (Bos taurus)	BDBM50029503 ((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...) Show SMILES C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C22H32N6O3/c1-22(14-29,9-5-10-25-21(23)24)27-19(30)18-8-4-11-28(18)20(31)17-12-15-6-2-3-7-16(15)13-26-17/h2-3,6-7,14,17-18,26H,4-5,8-13H2,1H3,(H,27,30)(H4,23,24,25)/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	5.00E+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 Coagulation factor X				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair