Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50015137   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151885 (1-[4-(2,2-Diphenyl-ethylamino)-3-(morpholine-4-car...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C41H58N6O5S/c1-43(2)21-11-23-45(24-12-22-44(3)4)40(48)35-19-25-47(26-20-35)53(50,51)36-17-18-39(37(31-36)41(49)46-27-29-52-30-28-46)42-32-38(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-10,13-18,31,35,38,42H,11-12,19-30,32H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151884 (CHEMBL185551 | N,N-Bis-(3-dimethylamino-propyl)-3-...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C38H54N6O5S/c1-41(2)21-11-23-43(24-12-22-42(3)4)37(45)19-20-40-50(47,48)33-17-18-36(34(29-33)38(46)44-25-27-49-28-26-44)39-30-35(31-13-7-5-8-14-31)32-15-9-6-10-16-32/h5-10,13-18,29,35,39-40H,11-12,19-28,30H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151886 (CHEMBL181695 | {2-(2,2-Diphenyl-ethylamino)-5-[4-(...) Show SMILES CC(C)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C38H49N5O5S/c1-29(2)40-19-21-41(22-20-40)37(44)32-15-17-43(18-16-32)49(46,47)33-13-14-36(34(27-33)38(45)42-23-25-48-26-24-42)39-28-35(30-9-5-3-6-10-30)31-11-7-4-8-12-31/h3-14,27,29,32,35,39H,15-26,28H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151894 (1-[4-(2,2-Diphenyl-ethylamino)-3-nitro-benzenesulf...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C36H50N6O5S/c1-38(2)21-11-23-40(24-12-22-39(3)4)36(43)31-19-25-41(26-20-31)48(46,47)32-17-18-34(35(27-32)42(44)45)37-28-33(29-13-7-5-8-14-29)30-15-9-6-10-16-30/h5-10,13-18,27,31,33,37H,11-12,19-26,28H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151891 (CHEMBL273869 | {2-(2,2-Diphenyl-ethylamino)-5-[4-(...) Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C36H45N5O5S/c1-38-18-20-39(21-19-38)35(42)30-14-16-41(17-15-30)47(44,45)31-12-13-34(32(26-31)36(43)40-22-24-46-25-23-40)37-27-33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-13,26,30,33,37H,14-25,27H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151888 (3-[3-Acetyl-4-(2,2-diphenyl-ethylamino)-benzenesul...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(C)=O Show InChI InChI=1S/C35H49N5O4S/c1-28(41)32-26-31(18-19-34(32)36-27-33(29-14-8-6-9-15-29)30-16-10-7-11-17-30)45(43,44)37-21-20-35(42)40(24-12-22-38(2)3)25-13-23-39(4)5/h6-11,14-19,26,33,36-37H,12-13,20-25,27H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151889 (CHEMBL180143 | N,N-Bis-(3-dimethylamino-propyl)-3-...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C33H46N6O5S/c1-36(2)21-11-23-38(24-12-22-37(3)4)33(40)19-20-35-45(43,44)29-17-18-31(32(25-29)39(41)42)34-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,34-35H,11-12,19-24,26H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151890 (CHEMBL181098 | N,N-Bis-(3-dimethylamino-propyl)-4-...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H41N5O4S/c1-32(2)19-11-21-34(22-12-20-33(3)4)40(38,39)27-17-18-29(30(23-27)35(36)37)31-24-28(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-10,13-18,23,28,31H,11-12,19-22,24H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151893 (4-(1-Benzyl-2-phenyl-ethylamino)-N,N-bis-(3-dimeth...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(Cc2ccccc2)Cc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H43N5O4S/c1-33(2)19-11-21-35(22-12-20-34(3)4)41(39,40)29-17-18-30(31(25-29)36(37)38)32-28(23-26-13-7-5-8-14-26)24-27-15-9-6-10-16-27/h5-10,13-18,25,28,32H,11-12,19-24H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151892 (3-[3-Chloro-4-(2,2-diphenyl-ethylamino)-benzenesul...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C33H46ClN5O3S/c1-37(2)21-11-23-39(24-12-22-38(3)4)33(40)19-20-36-43(41,42)29-17-18-32(31(34)25-29)35-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,35-36H,11-12,19-24,26H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50151887 (4-(Benzhydryl-amino)-N,N-bis-(3-dimethylamino-prop...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H39N5O4S/c1-31(2)19-11-21-33(22-12-20-32(3)4)39(37,38)26-17-18-27(28(23-26)34(35)36)30-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29-30H,11-12,19-22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B2 expressed in COS7 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151887 (4-(Benzhydryl-amino)-N,N-bis-(3-dimethylamino-prop...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H39N5O4S/c1-31(2)19-11-21-33(22-12-20-32(3)4)39(37,38)26-17-18-27(28(23-26)34(35)36)30-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29-30H,11-12,19-22H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151887 (4-(Benzhydryl-amino)-N,N-bis-(3-dimethylamino-prop...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H39N5O4S/c1-31(2)19-11-21-33(22-12-20-32(3)4)39(37,38)26-17-18-27(28(23-26)34(35)36)30-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29-30H,11-12,19-22H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair