BDBM50104623 CHEMBL3593549

SMILES: CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=DFINJLCZWBDBQX-KDNYSNCWSA-N

Data: 6 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 6 hits for monomerid = 50104623   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104623 (CHEMBL3593549) Show SMILES CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |r,TLB:58:49:56:52.53.54,THB:48:49:56:52.53.54,54:53:50:56.55.57,54:55:52.53.58:50,58:53:56:49.50.57| Show InChI InChI=1S/C49H63N5O5/c1-2-3-9-41-32-54(48(59)47(58)52(41)19-17-49-26-35-20-36(27-49)22-37(21-35)28-49)43(24-33-12-15-44(55)16-13-33)30-51-18-6-10-40(51)31-53-42(29-50-45(56)46(53)57)25-34-11-14-38-7-4-5-8-39(38)23-34/h4-5,7-8,11-16,23,35-37,40-43,55H,2-3,6,9-10,17-22,24-32H2,1H3,(H,50,56)/t35?,36?,37?,40-,41-,42+,43-,49?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
£Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of MMP8 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr b...				J Med Chem 58: 5808-24 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VJS
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104623 (CHEMBL3593549) Show SMILES CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |r,TLB:58:49:56:52.53.54,THB:48:49:56:52.53.54,54:53:50:56.55.57,54:55:52.53.58:50,58:53:56:49.50.57| Show InChI InChI=1S/C49H63N5O5/c1-2-3-9-41-32-54(48(59)47(58)52(41)19-17-49-26-35-20-36(27-49)22-37(21-35)28-49)43(24-33-12-15-44(55)16-13-33)30-51-18-6-10-40(51)31-53-42(29-50-45(56)46(53)57)25-34-11-14-38-7-4-5-8-39(38)23-34/h4-5,7-8,11-16,23,35-37,40-43,55H,2-3,6,9-10,17-22,24-32H2,1H3,(H,50,56)/t35?,36?,37?,40-,41-,42+,43-,49?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
£Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr b...				J Med Chem 58: 5808-24 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VJS
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50104623 (CHEMBL3593549) Show SMILES CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |r,TLB:58:49:56:52.53.54,THB:48:49:56:52.53.54,54:53:50:56.55.57,54:55:52.53.58:50,58:53:56:49.50.57| Show InChI InChI=1S/C49H63N5O5/c1-2-3-9-41-32-54(48(59)47(58)52(41)19-17-49-26-35-20-36(27-49)22-37(21-35)28-49)43(24-33-12-15-44(55)16-13-33)30-51-18-6-10-40(51)31-53-42(29-50-45(56)46(53)57)25-34-11-14-38-7-4-5-8-39(38)23-34/h4-5,7-8,11-16,23,35-37,40-43,55H,2-3,6,9-10,17-22,24-32H2,1H3,(H,50,56)/t35?,36?,37?,40-,41-,42+,43-,49?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
£Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of MMP9 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr b...				J Med Chem 58: 5808-24 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VJS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50104623 (CHEMBL3593549) Show SMILES CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |r,TLB:58:49:56:52.53.54,THB:48:49:56:52.53.54,54:53:50:56.55.57,54:55:52.53.58:50,58:53:56:49.50.57| Show InChI InChI=1S/C49H63N5O5/c1-2-3-9-41-32-54(48(59)47(58)52(41)19-17-49-26-35-20-36(27-49)22-37(21-35)28-49)43(24-33-12-15-44(55)16-13-33)30-51-18-6-10-40(51)31-53-42(29-50-45(56)46(53)57)25-34-11-14-38-7-4-5-8-39(38)23-34/h4-5,7-8,11-16,23,35-37,40-43,55H,2-3,6,9-10,17-22,24-32H2,1H3,(H,50,56)/t35?,36?,37?,40-,41-,42+,43-,49?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
£Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of ADAM10 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay				J Med Chem 58: 5808-24 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VJS
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50104623 (CHEMBL3593549) Show SMILES CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |r,TLB:58:49:56:52.53.54,THB:48:49:56:52.53.54,54:53:50:56.55.57,54:55:52.53.58:50,58:53:56:49.50.57| Show InChI InChI=1S/C49H63N5O5/c1-2-3-9-41-32-54(48(59)47(58)52(41)19-17-49-26-35-20-36(27-49)22-37(21-35)28-49)43(24-33-12-15-44(55)16-13-33)30-51-18-6-10-40(51)31-53-42(29-50-45(56)46(53)57)25-34-11-14-38-7-4-5-8-39(38)23-34/h4-5,7-8,11-16,23,35-37,40-43,55H,2-3,6,9-10,17-22,24-32H2,1H3,(H,50,56)/t35?,36?,37?,40-,41-,42+,43-,49?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
£Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of MMP14 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr ...				J Med Chem 58: 5808-24 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VJS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50104623 (CHEMBL3593549) Show SMILES CCCC[C@H]1CN([C@H](CN2CCC[C@H]2CN2[C@H](Cc3ccc4ccccc4c3)CNC(=O)C2=O)Cc2ccc(O)cc2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 |r,TLB:58:49:56:52.53.54,THB:48:49:56:52.53.54,54:53:50:56.55.57,54:55:52.53.58:50,58:53:56:49.50.57| Show InChI InChI=1S/C49H63N5O5/c1-2-3-9-41-32-54(48(59)47(58)52(41)19-17-49-26-35-20-36(27-49)22-37(21-35)28-49)43(24-33-12-15-44(55)16-13-33)30-51-18-6-10-40(51)31-53-42(29-50-45(56)46(53)57)25-34-11-14-38-7-4-5-8-39(38)23-34/h4-5,7-8,11-16,23,35-37,40-43,55H,2-3,6,9-10,17-22,24-32H2,1H3,(H,50,56)/t35?,36?,37?,40-,41-,42+,43-,49?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
£Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay				J Med Chem 58: 5808-24 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VJS
					More data for this Ligand-Target Pair