BDBM50288410 CHEMBL95993::N-[(1-Dihydroxyboranyl-4-formimidoylamino-butylcarbamoyl)-methyl]-N-methyl-3-phenyl-propionamide

SMILES: CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1

InChI Key: InChIKey=BNQKKJULGXDFIQ-HNNXBMFYSA-N

Data: 5 KI

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 = 50288410   

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
Prothrombin (Homo sapiens (Human))	BDBM50288410 (CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...) Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro for inhibition of thrombin.				Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50288410 (CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...) Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of trypsin				Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50288410 (CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...) Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration necessary to double time for clot formation induced by bovine thrombin				Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50288410 (CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...) Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of tissue plasminogen activator				Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50288410 (CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...) Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro for inhibition of plasmin				Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S
					More data for this Ligand-Target Pair