BDBM379621 US9926281, Compound 124

SMILES: CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O

InChI Key: InChIKey=YGUZSRSJSPPSGU-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 379621   

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
ADAMTS5 (Rattus norvegicus (Rat))	BDBM379621 (US9926281, Compound 124) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C23H25ClN4O5S/c1-34(32,33)19-7-5-16(6-8-19)23(21(30)25-22(31)26-23)10-9-20(29)28-13-11-27(12-14-28)18-4-2-3-17(24)15-18/h2-8,15H,9-14H2,1H3,(H2,25,26,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM379621 (US9926281, Compound 124) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C23H25ClN4O5S/c1-34(32,33)19-7-5-16(6-8-19)23(21(30)25-22(31)26-23)10-9-20(29)28-13-11-27(12-14-28)18-4-2-3-17(24)15-18/h2-8,15H,9-14H2,1H3,(H2,25,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM379621 (US9926281, Compound 124) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C23H25ClN4O5S/c1-34(32,33)19-7-5-16(6-8-19)23(21(30)25-22(31)26-23)10-9-20(29)28-13-11-27(12-14-28)18-4-2-3-17(24)15-18/h2-8,15H,9-14H2,1H3,(H2,25,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description MMP-13:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP13 (Chemicon, Cat #CC06...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM379621 (US9926281, Compound 124) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C23H25ClN4O5S/c1-34(32,33)19-7-5-16(6-8-19)23(21(30)25-22(31)26-23)10-9-20(29)28-13-11-27(12-14-28)18-4-2-3-17(24)15-18/h2-8,15H,9-14H2,1H3,(H2,25,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description TACE:The basis for the assay is the cleavage of the substrate 5FAM-LAQAVRSSSRK-5TAMRA (SEQ ID No 3) (Anaspec, custom 34891) by human TACE (R&D SYSTEM...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM379621 (US9926281, Compound 124) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C23H25ClN4O5S/c1-34(32,33)19-7-5-16(6-8-19)23(21(30)25-22(31)26-23)10-9-20(29)28-13-11-27(12-14-28)18-4-2-3-17(24)15-18/h2-8,15H,9-14H2,1H3,(H2,25,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description MMP2: Protocol 2: The basis for the assay is the cleavage of the substrate 390 MMP FRET substrate I (Anaspec, Catalog n#: AS-27076) by human MMP2 (R&...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM379621 (US9926281, Compound 124) Show SMILES CS(=O)(=O)c1ccc(cc1)C1(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C23H25ClN4O5S/c1-34(32,33)19-7-5-16(6-8-19)23(21(30)25-22(31)26-23)10-9-20(29)28-13-11-27(12-14-28)18-4-2-3-17(24)15-18/h2-8,15H,9-14H2,1H3,(H2,25,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago					Assay Description ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMT...				J Med Chem 51: 3437-48 (2008) BindingDB Entry DOI: 10.7270/Q27S7R3T
					More data for this Ligand-Target Pair