BDBM50071516 2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-indan-2-carboxylic acid hydroxyamide::CHEMBL419459

SMILES: ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=LMNYCZICCBTEFX-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50071516   

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
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM50071516 (2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...) Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O3S/c21-16-8-7-15(10-17(16)22)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibition of human phosphomannose isomerase (PMI)				Bioorg Med Chem Lett 8: 2303-8 (1999) BindingDB Entry DOI: 10.7270/Q2JW8D2F
					More data for this Ligand-Target Pair
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM50071516 (2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...) Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O3S/c21-16-8-7-15(10-17(16)22)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition constant against phosphomannose isomerase enzyme of Candida albicans (CaPMI)				Bioorg Med Chem Lett 8: 2303-8 (1999) BindingDB Entry DOI: 10.7270/Q2JW8D2F
					More data for this Ligand-Target Pair
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM50071516 (2-[4-(3,4-Dichloro-phenylsulfanyl)-butyrylamino]-i...) Show SMILES ONC(=O)C1(Cc2ccccc2C1)NC(=O)CCCSc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O3S/c21-16-8-7-15(10-17(16)22)28-9-3-6-18(25)23-20(19(26)24-27)11-13-4-1-2-5-14(13)12-20/h1-2,4-5,7-8,10,27H,3,6,9,11-12H2,(H,23,25)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Compound was tested for percentage inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI).				Bioorg Med Chem Lett 8: 2303-8 (1999) BindingDB Entry DOI: 10.7270/Q2JW8D2F
					More data for this Ligand-Target Pair