BDBM50060758 CHEMBL331160::{(R)-2-[(S)-2-(4-Amino-benzylcarbamoyl)-pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1

InChI Key: InChIKey=CBRWXZBHBLDJCP-YADHBBJMSA-N

Data: 3 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 3 hits for monomerid = 50060758   

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))	BDBM50060758 (CHEMBL331160 | {(R)-2-[(S)-2-(4-Amino-benzylcarbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C26H34N4O4/c1-26(2,3)34-25(33)29-21(16-18-8-5-4-6-9-18)24(32)30-15-7-10-22(30)23(31)28-17-19-11-13-20(27)14-12-19/h4-6,8-9,11-14,21-22H,7,10,15-17,27H2,1-3H3,(H,28,31)(H,29,33)/t21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin(IIa)				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50060758 (CHEMBL331160 | {(R)-2-[(S)-2-(4-Amino-benzylcarbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C26H34N4O4/c1-26(2,3)34-25(33)29-21(16-18-8-5-4-6-9-18)24(32)30-15-7-10-22(30)23(31)28-17-19-11-13-20(27)14-12-19/h4-6,8-9,11-14,21-22H,7,10,15-17,27H2,1-3H3,(H,28,31)(H,29,33)/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine trypsin				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060758 (CHEMBL331160 | {(R)-2-[(S)-2-(4-Amino-benzylcarbam...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C26H34N4O4/c1-26(2,3)34-25(33)29-21(16-18-8-5-4-6-9-18)24(32)30-15-7-10-22(30)23(31)28-17-19-11-13-20(27)14-12-19/h4-6,8-9,11-14,21-22H,7,10,15-17,27H2,1-3H3,(H,28,31)(H,29,33)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N
					More data for this Ligand-Target Pair