BDBM471788 (5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5- methoxy-phenyl)- 3-methyl- piperazin- 1-yl]-3-oxo- propyl] imidazolidine- 2,4-dione::US10829478, Compound 37

SMILES: COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1

InChI Key: InChIKey=MDCDJAYEONMPDM-QKVFXAPYSA-N

Data: 7 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 7 hits for monomerid = 471788   

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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM471788 ((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...) Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.5	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description TABLE VI: 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 ADAMTS4.For the...				US Patent US10829478 (2020)
					More data for this Ligand-Target Pair
ADAMTS5 (Rattus norvegicus (Rat))	BDBM471788 ((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...) Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H...				US Patent US10829478 (2020)
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM471788 ((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...) Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description TABLE IX: 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 ADAMTS-5.For th...				US Patent US10829478 (2020)
					More data for this Ligand-Target Pair
Matrix metalloproteinase 14 (Homo sapiens (Human))	BDBM471788 ((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...) Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description TABLE XIII: The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat #AS-27076) by human MMP13 (Enzo Life Scien...				US Patent US10829478 (2020)
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM471788 ((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...) Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description TABLE XI: 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 ...				US Patent US10829478 (2020)
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM471788 ((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...) Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description TABLE XII: 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 #C...				US Patent US10829478 (2020)
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 6 (Human)	BDBM471788 ((5S)-5- cyclopropyl- 5-[3-[(3S)-4-(3,4- difluoro-5...) Show SMILES COc1cc(cc(F)c1F)N1CCN(C[C@@H]1C)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C21H26F2N4O4/c1-12-11-26(7-8-27(12)14-9-15(22)18(23)16(10-14)31-2)17(28)5-6-21(13-3-4-13)19(29)24-20(30)25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H2,24,25,29,30)/t12-,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description TABLE X: The IC50 value for test compounds can be determined in a fluorescent based protease assay.The basis for the assay is the cleavage of the sub...				US Patent US10829478 (2020)
					More data for this Ligand-Target Pair