null

SMILES: COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(Cl)c(OC)c2)NC(=O)NC1=O

InChI Key: InChIKey=FFYZDEBNTHTQDB-RXSFTSLZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 471796   

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))	BDBM471796 (5-[3-[(3S)-4-(4- chloro-3-methoxy- phenyl)-3-methy...) Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(Cl)c(OC)c2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H29ClN4O5/c1-13(10-21(12-30-3)19(28)23-20(29)24-21)18(27)25-7-8-26(14(2)11-25)15-5-6-16(22)17(9-15)31-4/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H2,23,24,28,29)/t13-,14-,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) BindingDB Entry DOI: 10.7270/Q2X351H2
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM471796 (5-[3-[(3S)-4-(4- chloro-3-methoxy- phenyl)-3-methy...) Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(Cl)c(OC)c2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H29ClN4O5/c1-13(10-21(12-30-3)19(28)23-20(29)24-21)18(27)25-7-8-26(14(2)11-25)15-5-6-16(22)17(9-15)31-4/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(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	37.5	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) BindingDB Entry DOI: 10.7270/Q2X351H2
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM471796 (5-[3-[(3S)-4-(4- chloro-3-methoxy- phenyl)-3-methy...) Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(Cl)c(OC)c2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H29ClN4O5/c1-13(10-21(12-30-3)19(28)23-20(29)24-21)18(27)25-7-8-26(14(2)11-25)15-5-6-16(22)17(9-15)31-4/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H2,23,24,28,29)/t13-,14-,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) BindingDB Entry DOI: 10.7270/Q2X351H2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM471796 (5-[3-[(3S)-4-(4- chloro-3-methoxy- phenyl)-3-methy...) Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(Cl)c(OC)c2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H29ClN4O5/c1-13(10-21(12-30-3)19(28)23-20(29)24-21)18(27)25-7-8-26(14(2)11-25)15-5-6-16(22)17(9-15)31-4/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H2,23,24,28,29)/t13-,14-,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	>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) BindingDB Entry DOI: 10.7270/Q2X351H2
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM471796 (5-[3-[(3S)-4-(4- chloro-3-methoxy- phenyl)-3-methy...) Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(Cl)c(OC)c2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H29ClN4O5/c1-13(10-21(12-30-3)19(28)23-20(29)24-21)18(27)25-7-8-26(14(2)11-25)15-5-6-16(22)17(9-15)31-4/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(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	>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) BindingDB Entry DOI: 10.7270/Q2X351H2
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 6 (Human)	BDBM471796 (5-[3-[(3S)-4-(4- chloro-3-methoxy- phenyl)-3-methy...) Show SMILES COC[C@]1(C[C@H](C)C(=O)N2CCN([C@@H](C)C2)c2ccc(Cl)c(OC)c2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H29ClN4O5/c1-13(10-21(12-30-3)19(28)23-20(29)24-21)18(27)25-7-8-26(14(2)11-25)15-5-6-16(22)17(9-15)31-4/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H2,23,24,28,29)/t13-,14-,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) BindingDB Entry DOI: 10.7270/Q2X351H2
					More data for this Ligand-Target Pair