BDBM50117909 CHEMBL278176::N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2-propyl-phenoxy]-acetyl}-4-isopropyl-benzenesulfonamide

SMILES: CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1

InChI Key: InChIKey=NTQWAQFOJQQOTK-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 = 50117909   

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
EDNRB (Homo sapiens (Human))	BDBM50117909 (CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human Endothelin B receptor (ETB)				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117909 (CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human Endothelin A receptor (ETA)				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50117909 (CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50117909 (CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at type 1 angiotensin 2 receptor				Bioorg Med Chem 20: 4661-7 (2012) Article DOI: 10.1016/j.bmc.2012.06.011 BindingDB Entry DOI: 10.7270/Q2G73FS6
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50117909 (CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human endothelin B (ETB) receptor expressed in CHO cells				Bioorg Med Chem Lett 5: 1155-1158 (1995) Article DOI: 10.1016/0960-894X(95)00186-W BindingDB Entry DOI: 10.7270/Q2DF6R5F
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117909 (CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at endothelin receptor subtype A				Bioorg Med Chem 20: 4661-7 (2012) Article DOI: 10.1016/j.bmc.2012.06.011 BindingDB Entry DOI: 10.7270/Q2G73FS6
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50117909 (CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...) Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human endothelin A (ETA) receptor expressed in CHO cells				Bioorg Med Chem Lett 5: 1155-1158 (1995) Article DOI: 10.1016/0960-894X(95)00186-W BindingDB Entry DOI: 10.7270/Q2DF6R5F
					More data for this Ligand-Target Pair