BDBM50030697 CHEMBL339004::N-Butyl-3-{3-butyl-4-[2'-(2-chloro-benzoylsulfamoyl)-3-fluoro-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-benzamide

SMILES: CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O

InChI Key: InChIKey=JWYRIVABJXWPRG-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 = 50030697   

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
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50030697 (CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50030697 (CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II AT2 (RAT)	BDBM50030697 (CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50030697 (CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor				Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50030697 (CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)	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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50030697 (CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor				Citation and Details Article DOI: 10.1007/s00044-011-9815-x BindingDB Entry DOI: 10.7270/Q2VT1W0S
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50030697 (CHEMBL339004 | N-Butyl-3-{3-butyl-4-[2'-(2-chloro-...) Show SMILES CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O Show InChI InChI=1S/C37H36Cl2FN5O5S/c1-3-5-15-34-42-45(32-22-25(18-19-30(32)39)35(46)41-20-6-4-2)37(48)44(34)23-26-17-16-24(21-31(26)40)27-11-8-10-14-33(27)51(49,50)43-36(47)28-12-7-9-13-29(28)38/h7-14,16-19,21-22H,3-6,15,20,23H2,1-2H3,(H,41,46)(H,43,47)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin II receptor type 2 in human adrenal membrane preparations.				J Med Chem 38: 3741-58 (1995) BindingDB Entry DOI: 10.7270/Q2Q81C35
					More data for this Ligand-Target Pair