BDBM50146808 CHEMBL318664::[(1-ethylpropyl)amino]carbonylphosphonic acid

SMILES: CCC(CC)NC(=O)P(O)(O)=O

InChI Key: InChIKey=NBDIMGROXSSYHE-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50146808   

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))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-3 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-1 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	PDB MMDB NCI pathway 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	8.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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	8.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	PDB MMDB NCI pathway 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	6.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-8 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair