BDBM50371196 CHEMBL236749

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=UYBOIZUYHOZICH-MOEIIGNNSA-N

Data: 1 Kd

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 = 50371196   

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
Core antigen (Hepatitis B virus)	BDBM50371196 (CHEMBL236749) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C45H57N9O11/c1-3-25(2)38(45(64)65)54-42(61)34(21-37(47)57)51-44(63)36(24-56)53-41(60)33(19-27-14-8-5-9-15-27)49-40(59)32(18-26-12-6-4-7-13-26)50-43(62)35(23-55)52-39(58)30(46)20-28-22-48-31-17-11-10-16-29(28)31/h4-17,22,25,30,32-36,38,48,55-56H,3,18-21,23-24,46H2,1-2H3,(H2,47,57)(H,49,59)(H,50,62)(H,51,63)(H,52,58)(H,53,60)(H,54,61)(H,64,65)/t25-,30-,32-,33-,34-,35-,36-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Binding affinity to HBcAg				J Med Chem 50: 5620-6 (2007) Article DOI: 10.1021/jm070468d BindingDB Entry DOI: 10.7270/Q2X92C46
					More data for this Ligand-Target Pair