BDBM224012 Capzimin::US10005735, Compound 12

SMILES: Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1

InChI Key: InChIKey=MYNGHZGMRXNEEH-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 224012   

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
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	30
California Institute of Technology					Assay Description Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were perfo...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
COP9 signalosome complex subunit 5 (Csn5) (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
California Institute of Technology					Assay Description Csn5 activity was measured using purified CSN complex and the fluorescent substrate OGNedd8–SCFSkp2, in which a unique cysteine engineered into ...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
STAM-binding protein (AMSH) (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description AMSH activity was measured using 10 nM purified AMSH (E-548B, Boston Biochem) and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem)....				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
BRISC complex (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description BRCC36 activity was measured using 1 nM purified BRISC complex and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem). TAMRA fluoresc...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.0	37
California Institute of Technology					Assay Description The enzyme was diluted with 25 mM Tris-Cl, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.1 mg/ml BSA, pH 8.0 buffer and its activity was measured by using S...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
AMSH-like protease (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...				Bioorg Med Chem 17: 8086-92 (2009) BindingDB Entry DOI: 10.7270/Q22R3V09
					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	37
California Institute of Technology					Assay Description The assay was carried out in white NUNC 96-well plates as previously described [Puerta et al., J. Biol. Inorg. Chem., 11:131-138]. Each well containe...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	8.0	25
California Institute of Technology					Assay Description Assays were run in 50 mM HEPES (pH 8.0). A BioTek Synergy H4 microplate sample processor was used. The compounds were incubated with protein (final c...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
Glyoxalase 1 (GLO1) (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	7.0	25
California Institute of Technology					Assay Description Assays were carried out in 100 mM sodium phosphate, pH 7.0 buffer using 96-well Clear UV Plate (Corning UV Transparent Microplates; catalog #3635). A...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...				Bioorg Med Chem 17: 8086-92 (2009) BindingDB Entry DOI: 10.7270/Q22R3V09
					More data for this Ligand-Target Pair
COP9 signalosome complex subunit 5 (Csn5) (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate i...				Bioorg Med Chem 17: 8086-92 (2009) BindingDB Entry DOI: 10.7270/Q22R3V09
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM224012 (Capzimin | US10005735, Compound 12) Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1 Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	37
California Institute of Technology					Assay Description The assay was carried out in white NUNC 96-well plates as previously described [Puerta et al., J. Biol. Inorg. Chem., 11:131-138]. Each well containe...				Nat Chem Biol 13: 486-493 (2017) Article DOI: 10.1038/nchembio.2326 BindingDB Entry DOI: 10.7270/Q24J0D0B
					More data for this Ligand-Target Pair