BDBM50112582 6-Amino-2-[2-(2-{2-[2-(2-{6-amino-2-[(pyrrolidine-2-carbonyl)-amino]-hexanoylamino}-3-phenyl-propionylamino)-5-guanidino-pentylamino]-3-hydroxy-propionylamino}-3-phenyl-propionylamino)-3-carbamoyl-propionylamino]-hexanoic acid::CHEMBL386926

SMILES: NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1)C(O)=O

InChI Key: InChIKey=SEWNZLRDMWIBMJ-VVHYORNTSA-N

Data: 1 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 1 hit for monomerid = 50112582   

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
Human rhinovirus A protease (Human rhinovirus B)	BDBM50112582 (6-Amino-2-[2-(2-{2-[2-(2-{6-amino-2-[(pyrrolidine-...) Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1)C(O)=O Show InChI InChI=1S/C48H76N14O10/c49-21-9-7-18-34(58-41(65)33-20-12-23-54-33)42(66)60-36(25-30-13-3-1-4-14-30)43(67)57-32(17-11-24-55-48(52)53)28-56-39(29-63)46(70)61-37(26-31-15-5-2-6-16-31)44(68)62-38(27-40(51)64)45(69)59-35(47(71)72)19-8-10-22-50/h1-6,13-16,32-39,54,56,63H,7-12,17-29,49-50H2,(H2,51,64)(H,57,67)(H,58,65)(H,59,69)(H,60,66)(H,61,70)(H,62,68)(H,71,72)(H4,52,53,55)/t32-,33+,34-,35-,36-,37-,38-,39-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Carlsberg Laboratory Curated by ChEMBL					Assay Description Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay				J Med Chem 45: 1971-82 (2002) BindingDB Entry DOI: 10.7270/Q29887QH
					More data for this Ligand-Target Pair