BDBM50419625 CHEMBL1940310

SMILES: CC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1

InChI Key: InChIKey=IERBLZLEQYZHMU-LJAQVGFWSA-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 = 50419625   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50419625 (CHEMBL1940310) Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:25.27,wD:25.26,(19.25,4.07,;20.59,4.84,;20.6,6.38,;21.92,4.05,;23.26,4.81,;24.59,4.04,;24.58,2.5,;23.25,1.72,;21.91,2.51,;25.91,1.72,;27.25,2.49,;27.26,4.03,;28.58,1.71,;29.93,2.47,;31.25,1.7,;31.24,.16,;32.57,-.62,;33.91,.15,;33.92,1.69,;35.26,2.45,;36.59,1.66,;36.58,.13,;35.25,-.63,;37.93,2.42,;39.26,3.18,;40.58,3.97,;40.56,2.45,;40.55,5.5,;41.87,6.27,;43.99,5.85,;44.02,3.67,;41.9,3.23,;43.19,4.01,;43.17,5.51,;29.91,-.61,;28.58,.16,)| Show InChI InChI=1S/C29H33N3O4/c1-21(33)32-18-13-25(14-19-32)30-28(34)23-4-8-27(9-5-23)36-26-6-2-22(3-7-26)10-15-29(35)20-31-16-11-24(29)12-17-31/h2-9,24-25,35H,11-14,16-20H2,1H3,(H,30,34)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50419625 (CHEMBL1940310) Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:25.27,wD:25.26,(19.25,4.07,;20.59,4.84,;20.6,6.38,;21.92,4.05,;23.26,4.81,;24.59,4.04,;24.58,2.5,;23.25,1.72,;21.91,2.51,;25.91,1.72,;27.25,2.49,;27.26,4.03,;28.58,1.71,;29.93,2.47,;31.25,1.7,;31.24,.16,;32.57,-.62,;33.91,.15,;33.92,1.69,;35.26,2.45,;36.59,1.66,;36.58,.13,;35.25,-.63,;37.93,2.42,;39.26,3.18,;40.58,3.97,;40.56,2.45,;40.55,5.5,;41.87,6.27,;43.99,5.85,;44.02,3.67,;41.9,3.23,;43.19,4.01,;43.17,5.51,;29.91,-.61,;28.58,.16,)| Show InChI InChI=1S/C29H33N3O4/c1-21(33)32-18-13-25(14-19-32)30-28(34)23-4-8-27(9-5-23)36-26-6-2-22(3-7-26)10-15-29(35)20-31-16-11-24(29)12-17-31/h2-9,24-25,35H,11-14,16-20H2,1H3,(H,30,34)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50419625 (CHEMBL1940310) Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:25.27,wD:25.26,(19.25,4.07,;20.59,4.84,;20.6,6.38,;21.92,4.05,;23.26,4.81,;24.59,4.04,;24.58,2.5,;23.25,1.72,;21.91,2.51,;25.91,1.72,;27.25,2.49,;27.26,4.03,;28.58,1.71,;29.93,2.47,;31.25,1.7,;31.24,.16,;32.57,-.62,;33.91,.15,;33.92,1.69,;35.26,2.45,;36.59,1.66,;36.58,.13,;35.25,-.63,;37.93,2.42,;39.26,3.18,;40.58,3.97,;40.56,2.45,;40.55,5.5,;41.87,6.27,;43.99,5.85,;44.02,3.67,;41.9,3.23,;43.19,4.01,;43.17,5.51,;29.91,-.61,;28.58,.16,)| Show InChI InChI=1S/C29H33N3O4/c1-21(33)32-18-13-25(14-19-32)30-28(34)23-4-8-27(9-5-23)36-26-6-2-22(3-7-26)10-15-29(35)20-31-16-11-24(29)12-17-31/h2-9,24-25,35H,11-14,16-20H2,1H3,(H,30,34)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50419625 (CHEMBL1940310) Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:25.27,wD:25.26,(19.25,4.07,;20.59,4.84,;20.6,6.38,;21.92,4.05,;23.26,4.81,;24.59,4.04,;24.58,2.5,;23.25,1.72,;21.91,2.51,;25.91,1.72,;27.25,2.49,;27.26,4.03,;28.58,1.71,;29.93,2.47,;31.25,1.7,;31.24,.16,;32.57,-.62,;33.91,.15,;33.92,1.69,;35.26,2.45,;36.59,1.66,;36.58,.13,;35.25,-.63,;37.93,2.42,;39.26,3.18,;40.58,3.97,;40.56,2.45,;40.55,5.5,;41.87,6.27,;43.99,5.85,;44.02,3.67,;41.9,3.23,;43.19,4.01,;43.17,5.51,;29.91,-.61,;28.58,.16,)| Show InChI InChI=1S/C29H33N3O4/c1-21(33)32-18-13-25(14-19-32)30-28(34)23-4-8-27(9-5-23)36-26-6-2-22(3-7-26)10-15-29(35)20-31-16-11-24(29)12-17-31/h2-9,24-25,35H,11-14,16-20H2,1H3,(H,30,34)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50419625 (CHEMBL1940310) Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:25.27,wD:25.26,(19.25,4.07,;20.59,4.84,;20.6,6.38,;21.92,4.05,;23.26,4.81,;24.59,4.04,;24.58,2.5,;23.25,1.72,;21.91,2.51,;25.91,1.72,;27.25,2.49,;27.26,4.03,;28.58,1.71,;29.93,2.47,;31.25,1.7,;31.24,.16,;32.57,-.62,;33.91,.15,;33.92,1.69,;35.26,2.45,;36.59,1.66,;36.58,.13,;35.25,-.63,;37.93,2.42,;39.26,3.18,;40.58,3.97,;40.56,2.45,;40.55,5.5,;41.87,6.27,;43.99,5.85,;44.02,3.67,;41.9,3.23,;43.19,4.01,;43.17,5.51,;29.91,-.61,;28.58,.16,)| Show InChI InChI=1S/C29H33N3O4/c1-21(33)32-18-13-25(14-19-32)30-28(34)23-4-8-27(9-5-23)36-26-6-2-22(3-7-26)10-15-29(35)20-31-16-11-24(29)12-17-31/h2-9,24-25,35H,11-14,16-20H2,1H3,(H,30,34)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MMP9 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair