BDBM50094976 CHEMBL3588999

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

InChI Key: InChIKey=WOZYNBSGWPZEBE-LAVLDKPHSA-N

Data: 2 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 2 hits for monomerid = 50094976   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50094976 (CHEMBL3588999) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C60H89N11O19/c1-30(2)23-39(65-59(89)44(29-49(79)80)69-57(87)41(24-31(3)4)67-54(84)37(61)19-21-46(73)74)45(72)25-33(7)52(82)71-50(32(5)6)60(90)70-43(27-36-17-13-10-14-18-36)58(88)68-42(26-35-15-11-9-12-16-35)56(86)63-34(8)53(83)64-38(20-22-47(75)76)55(85)66-40(51(62)81)28-48(77)78/h9-18,30-34,37-45,50,72H,19-29,61H2,1-8H3,(H2,62,81)(H,63,86)(H,64,83)(H,65,89)(H,66,85)(H,67,84)(H,68,88)(H,69,87)(H,70,90)(H,71,82)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/t33-,34+,37+,38+,39+,40+,41+,42+,43+,44+,45+,50+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Biologia Experimental e Tecnol£gica Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Mca-SEVNLDAEFK-DNP substrate assessed as substrate hydrolysis after 2 hrs by HPLC-FLU analysis				J Med Chem 58: 5408-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00658 BindingDB Entry DOI: 10.7270/Q2HX1FDQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50094976 (CHEMBL3588999) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C60H89N11O19/c1-30(2)23-39(65-59(89)44(29-49(79)80)69-57(87)41(24-31(3)4)67-54(84)37(61)19-21-46(73)74)45(72)25-33(7)52(82)71-50(32(5)6)60(90)70-43(27-36-17-13-10-14-18-36)58(88)68-42(26-35-15-11-9-12-16-35)56(86)63-34(8)53(83)64-38(20-22-47(75)76)55(85)66-40(51(62)81)28-48(77)78/h9-18,30-34,37-45,50,72H,19-29,61H2,1-8H3,(H2,62,81)(H,63,86)(H,64,83)(H,65,89)(H,66,85)(H,67,84)(H,68,88)(H,69,87)(H,70,90)(H,71,82)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/t33-,34+,37+,38+,39+,40+,41+,42+,43+,44+,45+,50+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Biologia Experimental e Tecnol£gica Curated by ChEMBL					Assay Description Apparent inhibition of human recombinant BACE2 using Mca-SEVNLDAEFK-DNP substrate assessed as substrate hydrolysis after 1 hr by HPLC-FLU analysis				J Med Chem 58: 5408-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00658 BindingDB Entry DOI: 10.7270/Q2HX1FDQ
					More data for this Ligand-Target Pair