BDBM50008681 4-{2-[9-(Benzylamino-methyl)-6,10-dioxo-1,4,7,8,9,10-hexahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]-acetylamino}-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-methyl-butyl]-amide::CHEMBL325180

SMILES: CCC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CC1C=CCN2N1C(=O)C(CNCc1ccccc1)CCC2=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=OAMALLOMXOTFMA-NZHCUIMFSA-N

Data: 1 IC50

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 = 50008681   

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)	BDBM50008681 (4-{2-[9-(Benzylamino-methyl)-6,10-dioxo-1,4,7,8,9,...) Show SMILES CCC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CC1C=CCN2N1C(=O)C(CNCc1ccccc1)CCC2=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |c:21| Show InChI InChI=1S/C42H59N7O7/c1-5-28(4)39(41(55)46-34(40(43)54)22-29-13-8-6-9-14-29)47-37(52)24-35(50)33(21-27(2)3)45-36(51)23-32-17-12-20-48-38(53)19-18-31(42(56)49(32)48)26-44-25-30-15-10-7-11-16-30/h6-17,27-28,31-35,39,44,50H,5,18-26H2,1-4H3,(H2,43,54)(H,45,51)(H,46,55)(H,47,52)/t28?,31?,32?,33-,34-,35-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Concentration required to inhibit HIV-1 protease activity calculated from plots of % inhibition vs inhibitor concentration				J Med Chem 34: 3395-9 (1992) BindingDB Entry DOI: 10.7270/Q2Z3208P
					More data for this Ligand-Target Pair