BDBM379666 US9926281, Compound 190

SMILES: CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1

InChI Key: InChIKey=XLMCLXXAHYLCHG-GJGORFQUSA-N

Data: 5 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 5 hits for monomerid = 379666   

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))	BDBM379666 (US9926281, Compound 190) Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H27FN4O3/c1-13(11-21(15-6-7-15)19(28)23-20(29)24-21)18(27)25-8-9-26(14(2)12-25)17-5-3-4-16(22)10-17/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,21?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM379666 (US9926281, Compound 190) Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H27FN4O3/c1-13(11-21(15-6-7-15)19(28)23-20(29)24-21)18(27)25-8-9-26(14(2)12-25)17-5-3-4-16(22)10-17/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,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	22	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
Collagenase 3 (Homo sapiens (Human))	BDBM379666 (US9926281, Compound 190) Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H27FN4O3/c1-13(11-21(15-6-7-15)19(28)23-20(29)24-21)18(27)25-8-9-26(14(2)12-25)17-5-3-4-16(22)10-17/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,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	3.06E+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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM379666 (US9926281, Compound 190) Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H27FN4O3/c1-13(11-21(15-6-7-15)19(28)23-20(29)24-21)18(27)25-8-9-26(14(2)12-25)17-5-3-4-16(22)10-17/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,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	>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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM379666 (US9926281, Compound 190) Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C21H27FN4O3/c1-13(11-21(15-6-7-15)19(28)23-20(29)24-21)18(27)25-8-9-26(14(2)12-25)17-5-3-4-16(22)10-17/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,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	>2.00E+4	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