BDBM50393211 CHEMBL2153737

SMILES: NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=LHVGXRIIQBVWQU-JHOVWCEZSA-N

Data: 7 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 7 hits for monomerid = 50393211   

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))	BDBM50393211 (CHEMBL2153737) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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
Matrix metalloproteinase 11 (Homo sapiens (Human))	BDBM50393211 (CHEMBL2153737) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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-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-9 (Homo sapiens (Human))	BDBM50393211 (CHEMBL2153737) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50393211 (CHEMBL2153737) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/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	20	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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50393211 (CHEMBL2153737) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	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-7 (MMP7) (Homo sapiens (Human))	BDBM50393211 (CHEMBL2153737) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/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+3	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50393211 (CHEMBL2153737) Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/m1/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+3	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