BDBM50200018 (3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-methoxyquinolin-8-ylamino)pentylamino)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)carbamoyl)phenoxy)benzamido)-3-methylpentanamido)-3-hydroxy-6-methylheptanoic acid butylamide::CHEMBL216917

SMILES: CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC

InChI Key: InChIKey=RNIDAYMXGCIYFM-ZGAURXLBSA-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 = 50200018   

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)	BDBM50200018 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C53H74N8O9/c1-10-12-25-54-46(63)31-45(62)43(28-32(3)4)60-53(68)47(33(5)11-2)61-52(67)38-19-23-41(24-20-38)70-40-21-17-37(18-22-40)51(66)59-36(8)50(65)58-35(7)49(64)56-27-13-15-34(6)57-44-30-42(69-9)29-39-16-14-26-55-48(39)44/h14,16-24,26,29-30,32-36,43,45,47,57,62H,10-13,15,25,27-28,31H2,1-9H3,(H,54,63)(H,56,64)(H,58,65)(H,59,66)(H,60,68)(H,61,67)/t33?,34?,35-,36-,43-,45-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50200018 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C53H74N8O9/c1-10-12-25-54-46(63)31-45(62)43(28-32(3)4)60-53(68)47(33(5)11-2)61-52(67)38-19-23-41(24-20-38)70-40-21-17-37(18-22-40)51(66)59-36(8)50(65)58-35(7)49(64)56-27-13-15-34(6)57-44-30-42(69-9)29-39-16-14-26-55-48(39)44/h14,16-24,26,29-30,32-36,43,45,47,57,62H,10-13,15,25,27-28,31H2,1-9H3,(H,54,63)(H,56,64)(H,58,65)(H,59,66)(H,60,68)(H,61,67)/t33?,34?,35-,36-,43-,45-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair