BDBM7991 (3S,4S)-5-(4-Bromobenzyloxy)-3-hydroxy-4-(2-thiophen-2-ylacetylamino)pentanoic Acid [(S)-1-((S)-1-Carbamoyl-3-methylbutylcarbamoyl)ethyl]amide::(3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxy-4-[1-(thiophen-2-yl)acetamido]pentanamide::Statine-like inhibitor 30

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)Cc1cccs1)C(N)=O

InChI Key: InChIKey=FIVRWDQFTCJMDY-ZMVGRULKSA-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 = 7991   

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)	BDBM7991 ((3S,4S)-5-(4-Bromobenzyloxy)-3-hydroxy-4-(2-thioph...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)Cc1cccs1)C(N)=O |r| Show InChI InChI=1S/C27H37BrN4O6S/c1-16(2)11-21(26(29)36)32-27(37)17(3)30-25(35)13-23(33)22(31-24(34)12-20-5-4-10-39-20)15-38-14-18-6-8-19(28)9-7-18/h4-10,16-17,21-23,33H,11-15H2,1-3H3,(H2,29,36)(H,30,35)(H,31,34)(H,32,37)/t17-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linkoping 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 Med Chem 47: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM7991 ((3S,4S)-5-(4-Bromobenzyloxy)-3-hydroxy-4-(2-thioph...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)Cc1cccs1)C(N)=O |r| Show InChI InChI=1S/C27H37BrN4O6S/c1-16(2)11-21(26(29)36)32-27(37)17(3)30-25(35)13-23(33)22(31-24(34)12-20-5-4-10-39-20)15-38-14-18-6-8-19(28)9-7-18/h4-10,16-17,21-23,33H,11-15H2,1-3H3,(H2,29,36)(H,30,35)(H,31,34)(H,32,37)/t17-,21-,22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linkoping 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 Med Chem 47: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM7991 ((3S,4S)-5-(4-Bromobenzyloxy)-3-hydroxy-4-(2-thioph...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)Cc1cccs1)C(N)=O |r| Show InChI InChI=1S/C27H37BrN4O6S/c1-16(2)11-21(26(29)36)32-27(37)17(3)30-25(35)13-23(33)22(31-24(34)12-20-5-4-10-39-20)15-38-14-18-6-8-19(28)9-7-18/h4-10,16-17,21-23,33H,11-15H2,1-3H3,(H2,29,36)(H,30,35)(H,31,34)(H,32,37)/t17-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linkoping 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 Med Chem 47: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG
					More data for this Ligand-Target Pair