BDBM50084894 3-Dibenzofuran-3-yl-2-[3-(2,3-dimethoxy-phenyl)-1-phosphono-propylamino]-propionic acid::CHEMBL423751

SMILES: COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)c1OC

InChI Key: InChIKey=GQBWOUUDJJTOJU-QHELBMECSA-N

Data: 4 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 4 hits for monomerid = 50084894   

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
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50084894 (3-Dibenzofuran-3-yl-2-[3-(2,3-dimethoxy-phenyl)-1-...) Show SMILES COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)c1OC Show InChI InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In Vitro inhibition of recombinant human endothelin converting enzyme-1				J Med Chem 43: 488-504 (2000) BindingDB Entry DOI: 10.7270/Q21G0MZR
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50084894 (3-Dibenzofuran-3-yl-2-[3-(2,3-dimethoxy-phenyl)-1-...) Show SMILES COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)c1OC Show InChI InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of rat neutral endopeptidase				J Med Chem 43: 488-504 (2000) BindingDB Entry DOI: 10.7270/Q21G0MZR
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50084894 (3-Dibenzofuran-3-yl-2-[3-(2,3-dimethoxy-phenyl)-1-...) Show SMILES COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)c1OC Show InChI InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of rat neutral endopeptidase				J Med Chem 43: 488-504 (2000) BindingDB Entry DOI: 10.7270/Q21G0MZR
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50084894 (3-Dibenzofuran-3-yl-2-[3-(2,3-dimethoxy-phenyl)-1-...) Show SMILES COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc32)C(O)=O)P(O)(O)=O)c1OC Show InChI InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In Vitro inhibition of recombinant human endothelin converting enzyme-1				J Med Chem 43: 488-504 (2000) BindingDB Entry DOI: 10.7270/Q21G0MZR
					More data for this Ligand-Target Pair