BDBM50112585 2-[3-Cyclohexyl-2-(2-{2-[2-(3-(3H-imidazol-4-yl)-2-{[1-(pyrrolidine-2-carbonyl)-pyrrolidine-2-carbonyl]-amino}-propionylamino)-3-phenyl-propylamino]-3-phenyl-propionylamino}-3-methyl-pentanoylamino)-propionylamino]-3-methyl-butyric acid::CHEMBL384420

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=UBTGPGOCOVJAAP-TTYQAKDZSA-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 = 50112585   

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)	BDBM50112585 (2-[3-Cyclohexyl-2-(2-{2-[2-(3-(3H-imidazol-4-yl)-2...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C54H78N10O8/c1-5-35(4)47(52(69)61-43(29-38-21-13-8-14-22-38)50(67)62-46(34(2)3)54(71)72)63-48(65)42(28-37-19-11-7-12-20-37)57-32-40(27-36-17-9-6-10-18-36)59-49(66)44(30-39-31-55-33-58-39)60-51(68)45-24-16-26-64(45)53(70)41-23-15-25-56-41/h6-7,9-12,17-20,31,33-35,38,40-47,56-57H,5,8,13-16,21-30,32H2,1-4H3,(H,55,58)(H,59,66)(H,60,68)(H,61,69)(H,62,67)(H,63,65)(H,71,72)/t35-,40-,41+,42-,43-,44-,45-,46-,47-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60E+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