BDBM50407695 CHEMBL357894

SMILES: CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Br)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1

InChI Key: InChIKey=CVTUEWJROAMNAG-LLSMIMKKSA-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 = 50407695   

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 immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50407695 (CHEMBL357894) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Br)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C47H53BrN8O5/c1-28(2)39(44(59)50-27-38-52-34-17-11-12-18-35(34)53-38)55-45(60)40(49-26-30-19-22-32(48)23-20-30)41(57)37(25-29-13-7-6-8-14-29)54-46(61)42(47(3,4)5)56-43(58)36-24-21-31-15-9-10-16-33(31)51-36/h6-24,28,37,39-42,49,57H,25-27H2,1-5H3,(H,50,59)(H,52,53)(H,54,61)(H,55,60)(H,56,58)/t37-,39-,40+,41+,42+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair