BDBM50407698 CHEMBL144405

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(cc2)P(O)(O)=O)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1

InChI Key: InChIKey=BVJCOKBPIFGNPZ-HPPJSWTHSA-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 = 50407698   

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)	BDBM50407698 (CHEMBL144405) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(cc2)P(O)(O)=O)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C47H60N7O9P/c1-29(2)40(44(57)49-28-38-50-35-14-10-11-15-36(35)51-38)54-45(58)41(48-27-32-16-21-33(63-6)22-17-32)42(56)37(26-31-12-8-7-9-13-31)52-46(59)43(47(3,4)5)53-39(55)25-20-30-18-23-34(24-19-30)64(60,61)62/h7-19,21-24,29,37,40-43,48,56H,20,25-28H2,1-6H3,(H,49,57)(H,50,51)(H,52,59)(H,53,55)(H,54,58)(H2,60,61,62)/t37-,40-,41+,42+,43+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.76	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