null

SMILES: COc1cc(cc(F)c1Cl)N1CCN(C[C@@H]1C)C(=O)CC[C@H]1NC(=O)NC1=O

InChI Key: InChIKey=CJYIEAVIAHNBAS-GXFFZTMASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 471908   

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 (Homo sapiens (Human))	BDBM471908 ((5R)-5-[3-[(3S)-4- (4-chloro- 3-fluoro- 5-methoxy-...) Show SMILES COc1cc(cc(F)c1Cl)N1CCN(C[C@@H]1C)C(=O)CC[C@H]1NC(=O)NC1=O |r| Show InChI InChI=1S/C18H22ClFN4O4/c1-10-9-23(15(25)4-3-13-17(26)22-18(27)21-13)5-6-24(10)11-7-12(20)16(19)14(8-11)28-2/h7-8,10,13H,3-6,9H2,1-2H3,(H2,21,22,26,27)/t10-,13+/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	>1.00E+4	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))	BDBM471908 ((5R)-5-[3-[(3S)-4- (4-chloro- 3-fluoro- 5-methoxy-...) Show SMILES COc1cc(cc(F)c1Cl)N1CCN(C[C@@H]1C)C(=O)CC[C@H]1NC(=O)NC1=O |r| Show InChI InChI=1S/C18H22ClFN4O4/c1-10-9-23(15(25)4-3-13-17(26)22-18(27)21-13)5-6-24(10)11-7-12(20)16(19)14(8-11)28-2/h7-8,10,13H,3-6,9H2,1-2H3,(H2,21,22,26,27)/t10-,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	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
Collagenase 3 (Homo sapiens (Human))	BDBM471908 ((5R)-5-[3-[(3S)-4- (4-chloro- 3-fluoro- 5-methoxy-...) Show SMILES COc1cc(cc(F)c1Cl)N1CCN(C[C@@H]1C)C(=O)CC[C@H]1NC(=O)NC1=O |r| Show InChI InChI=1S/C18H22ClFN4O4/c1-10-9-23(15(25)4-3-13-17(26)22-18(27)21-13)5-6-24(10)11-7-12(20)16(19)14(8-11)28-2/h7-8,10,13H,3-6,9H2,1-2H3,(H2,21,22,26,27)/t10-,13+/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)	BDBM471908 ((5R)-5-[3-[(3S)-4- (4-chloro- 3-fluoro- 5-methoxy-...) Show SMILES COc1cc(cc(F)c1Cl)N1CCN(C[C@@H]1C)C(=O)CC[C@H]1NC(=O)NC1=O |r| Show InChI InChI=1S/C18H22ClFN4O4/c1-10-9-23(15(25)4-3-13-17(26)22-18(27)21-13)5-6-24(10)11-7-12(20)16(19)14(8-11)28-2/h7-8,10,13H,3-6,9H2,1-2H3,(H2,21,22,26,27)/t10-,13+/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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM471908 ((5R)-5-[3-[(3S)-4- (4-chloro- 3-fluoro- 5-methoxy-...) Show SMILES COc1cc(cc(F)c1Cl)N1CCN(C[C@@H]1C)C(=O)CC[C@H]1NC(=O)NC1=O |r| Show InChI InChI=1S/C18H22ClFN4O4/c1-10-9-23(15(25)4-3-13-17(26)22-18(27)21-13)5-6-24(10)11-7-12(20)16(19)14(8-11)28-2/h7-8,10,13H,3-6,9H2,1-2H3,(H2,21,22,26,27)/t10-,13+/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	>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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM471908 ((5R)-5-[3-[(3S)-4- (4-chloro- 3-fluoro- 5-methoxy-...) Show SMILES COc1cc(cc(F)c1Cl)N1CCN(C[C@@H]1C)C(=O)CC[C@H]1NC(=O)NC1=O |r| Show InChI InChI=1S/C18H22ClFN4O4/c1-10-9-23(15(25)4-3-13-17(26)22-18(27)21-13)5-6-24(10)11-7-12(20)16(19)14(8-11)28-2/h7-8,10,13H,3-6,9H2,1-2H3,(H2,21,22,26,27)/t10-,13+/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	75	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