BDBM50288408 1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic acid (5-amino-1-dihydroxyboranyl-pentyl)-amide::CHEMBL320897

SMILES: NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O

InChI Key: InChIKey=UOMOHVALINFUIP-IRXDYDNUSA-N

Data: 4 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 4 hits for monomerid = 50288408   

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))	BDBM50288408 (1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against thrombin.				Bioorg Med Chem Lett 6: 295-300 (1996) Article DOI: 10.1016/0960-894X(96)00015-7 BindingDB Entry DOI: 10.7270/Q2DZ089B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50288408 (1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	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
Prothrombin (Homo sapiens (Human))	BDBM50288408 (1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human thrombin.				Bioorg Med Chem Lett 6: 301-306 (1996) Article DOI: 10.1016/0960-894X(96)00016-9 BindingDB Entry DOI: 10.7270/Q2959HJX
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50288408 (1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	100	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