BDBM24006 5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazole]-2-one::thiadiazole derivative, 23

SMILES: CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1

InChI Key: InChIKey=HBXVEQHRTCDTPV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 24006   

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
ADAMTS-5 (Aggrecanase-2) (Homo sapiens (Human))	BDBM24006 (5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM24006 (5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.5	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM24006 (5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	7.5	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM24006 (5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair