BDBM8082 (2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carbamoylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-2-(cyclohexylformamido)-3-methylbutanamide::hydroxylethylamine scaffold 51::hydroxylethylamine scaffold 5{1}

SMILES: CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O

InChI Key: InChIKey=CLSNAQKQKUYIRO-LJWNLINESA-N

Data: 3 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 3 hits for monomerid = 8082   

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
Plasmepsin I (Plasmodium falciparum)	BDBM8082 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H43BrN4O4/c1-20(2)28(36-30(39)23-11-7-4-8-12-23)31(40)35-25(17-21-9-5-3-6-10-21)27(37)19-34-26(29(33)38)18-22-13-15-24(32)16-14-22/h3,5-6,9-10,13-16,20,23,25-28,34,37H,4,7-8,11-12,17-19H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t25-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM8082 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H43BrN4O4/c1-20(2)28(36-30(39)23-11-7-4-8-12-23)31(40)35-25(17-21-9-5-3-6-10-21)27(37)19-34-26(29(33)38)18-22-13-15-24(32)16-14-22/h3,5-6,9-10,13-16,20,23,25-28,34,37H,4,7-8,11-12,17-19H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t25-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	-8.52	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM8082 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H43BrN4O4/c1-20(2)28(36-30(39)23-11-7-4-8-12-23)31(40)35-25(17-21-9-5-3-6-10-21)27(37)19-34-26(29(33)38)18-22-13-15-24(32)16-14-22/h3,5-6,9-10,13-16,20,23,25-28,34,37H,4,7-8,11-12,17-19H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t25-,26-,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair