BDBM50393207 CHEMBL2153738

SMILES: NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F

InChI Key: InChIKey=CGPJRIXIBMANTN-PHCUSUGSSA-N

Data: 8 KI

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 8 hits for monomerid = 50393207   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-1				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-7				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair
Matrix metalloproteinase 11 (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-11				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-14				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-9				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-8				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/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	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-2				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50393207 (CHEMBL2153738) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Sc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C37H36F3N4O7PS/c38-37(39,40)51-30-17-9-10-18-31(30)53-32(35(46)43-29(34(41)45)20-26-21-42-28-16-8-7-15-27(26)28)23-52(48,49)33(19-24-11-3-1-4-12-24)44-36(47)50-22-25-13-5-2-6-14-25/h1-18,21,29,32-33,42H,19-20,22-23H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)/t29-,32+,33+/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	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of MMP-13				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
					More data for this Ligand-Target Pair