BDBM50034257 3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-phenyl)-5-hydroxy-5H-furan-2-one::CHEMBL267094

SMILES: OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1

InChI Key: InChIKey=HIOIBSDPMJWBMG-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50034257   

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-1 receptor (Homo sapiens (Human))	BDBM50034257 (3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for antagonistic activity against Endothelin A receptor in the rabbit renal artery vascular smooth muscle cells.				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034257 (3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Antagonistic activity against human Endothelin A receptor expressed in LtK				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50034257 (3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for antagonistic activity against Endothelin B receptor in the humans (CHO expressed).				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50034257 (3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034257 (3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human cloned endothelin A receptor expressed in LTK-cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034257 (3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells				J Med Chem 40: 1063-74 (1997) Article DOI: 10.1021/jm9606507 BindingDB Entry DOI: 10.7270/Q27P8XG5
					More data for this Ligand-Target Pair
EDNRB (RAT)	BDBM50034257 (3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-pheny...) Show SMILES OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested for antagonistic activity against Endothelin B receptor in the rat cerebellum.				J Med Chem 38: 1259-63 (1995) BindingDB Entry DOI: 10.7270/Q2WH2P1B
					More data for this Ligand-Target Pair