Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'sucholeiki' and Initial = 'i'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP13 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM16596 (4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP13 (unknown origin) using APMA as substrate preincubated for 15 mins followed by substrate addition				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50573596 (CHEMBL4846182) Show SMILES C[C@H](NC(=O)c1cc(ncn1)C(=O)NCc1ccc(cc1)-c1nnn[nH]1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP13 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM256502 (US9505743, 70) Show SMILES COc1cccc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C22H20N4O5/c1-31-17-4-2-3-15(9-17)12-24-21(28)19-10-18(25-13-26-19)20(27)23-11-14-5-7-16(8-6-14)22(29)30/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,28)(H,29,30)	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	<100	n/a	n/a	n/a	n/a	7.6	37
TBA US Patent					Assay Description MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...				US Patent US9505743 (2016) BindingDB Entry DOI: 10.7270/Q23F4NK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50573597 (CHEMBL4860977) Show SMILES C[C@@H](NC(=O)c1cc(ncn1)C(=O)NCc1ccc(cc1)-c1nnn[nH]1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MMP13 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,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	<100	n/a	n/a	n/a	n/a	7.6	37
TBA US Patent					Assay Description MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...				US Patent US9505743 (2016) BindingDB Entry DOI: 10.7270/Q23F4NK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,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	<100	n/a	n/a	n/a	n/a	7.6	37
TBA US Patent					Assay Description MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...				US Patent US9505743 (2016) BindingDB Entry DOI: 10.7270/Q23F4NK1
					More data for this Ligand-Target Pair
Stromelysin-2 (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP10 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP9 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 h...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP8 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 h...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP2 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 h...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP1 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 h...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP14 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP7 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 h...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP12 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM256500 (BDBM256501 | US9505743, 44) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MMP3 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 h...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113666 BindingDB Entry DOI: 10.7270/Q28W3J2Q
					More data for this Ligand-Target Pair