Compile Data Set for Download or QSAR

Found 1085 hits with Last Name = 'barth' and Initial = 'm'   

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))	BDBM50420581 (CHEMBL2087422) Show SMILES CCN1CCC(CC1)N1CCN(CC1)C(=O)COCCN(C)S(=O)(=O)c1c(C)cc(OC)cc1C Show InChI InChI=1S/C25H42N4O5S/c1-6-27-9-7-22(8-10-27)28-11-13-29(14-12-28)24(30)19-34-16-15-26(4)35(31,32)25-20(2)17-23(33-5)18-21(25)3/h17-18,22H,6-16,19H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50326708 (CHEMBL1254771 | N-(4-(4,5-dihydro-1H-imidazol-2-yl...) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc1ccc(cc1)C1=NCCN1 |t:32| Show InChI InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420570 (CHEMBL2087434) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C1CCN(CC1)C(C)C Show InChI InChI=1S/C27H45N3O5S/c1-20(2)29-11-7-23(8-12-29)24-9-13-30(14-10-24)26(31)19-35-16-15-28(5)36(32,33)27-21(3)17-25(34-6)18-22(27)4/h17-18,20,23-24H,7-16,19H2,1-6H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420569 (CHEMBL2087433) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C1CCN(C)CC1 Show InChI InChI=1S/C25H41N3O5S/c1-19-16-23(32-5)17-20(2)25(19)34(30,31)27(4)14-15-33-18-24(29)28-12-8-22(9-13-28)21-6-10-26(3)11-7-21/h16-17,21-22H,6-15,18H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420579 (CHEMBL2087423) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)C1CCN(CC1)C1CC1 Show InChI InChI=1S/C26H42N4O5S/c1-20-17-24(34-4)18-21(2)26(20)36(32,33)27(3)15-16-35-19-25(31)30-13-11-29(12-14-30)23-7-9-28(10-8-23)22-5-6-22/h17-18,22-23H,5-16,19H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420589 (CHEMBL2087031) Show SMILES Cc1c(Cl)ccc(c1Cl)S(=O)(=O)N(CCc1ccccc1)CC(=O)NCC(=O)N(CCCCN1CCCC1)Cc1ccc(cc1)C(N)=N Show InChI InChI=1S/C35H44Cl2N6O4S/c1-26-30(36)15-16-31(34(26)37)48(46,47)43(22-17-27-9-3-2-4-10-27)25-32(44)40-23-33(45)42(21-8-7-20-41-18-5-6-19-41)24-28-11-13-29(14-12-28)35(38)39/h2-4,9-16H,5-8,17-25H2,1H3,(H3,38,39)(H,40,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Binding affinity to B1 receptor				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420580 (CHEMBL2087421) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)C1CCN(C)CC1 Show InChI InChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-12-10-27(11-13-28)21-6-8-25(3)9-7-21/h16-17,21H,6-15,18H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420603 (CHEMBL2087035) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl |t:10| Show InChI InChI=1S/C23H28Cl2N4O4S/c1-16-19(24)8-9-20(22(16)25)34(31,32)29(3)12-13-33-15-21(30)28(2)14-17-4-6-18(7-5-17)23-26-10-11-27-23/h4-9H,10-15H2,1-3H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420595 (CHEMBL2087409) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F |t:10| Show InChI InChI=1S/C23H27F3N4O4S/c1-29(15-17-7-9-18(10-8-17)22-27-11-12-28-22)21(31)16-34-14-13-30(2)35(32,33)20-6-4-3-5-19(20)23(24,25)26/h3-10H,11-16H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420597 (CHEMBL2087411) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl |t:10| Show InChI InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)19-5-3-4-18(23)21(19)24/h3-9H,10-15H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420582 (CHEMBL2087420) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)C1CC2CCC(C1)N2C Show InChI InChI=1S/C26H42N4O5S/c1-19-14-24(34-5)15-20(2)26(19)36(32,33)27(3)12-13-35-18-25(31)30-10-8-29(9-11-30)23-16-21-6-7-22(17-23)28(21)4/h14-15,21-23H,6-13,16-18H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420573 (CHEMBL2087429) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CCN(C)C)CC1 Show InChI InChI=1S/C23H39N3O5S/c1-18-15-21(30-6)16-19(2)23(18)32(28,29)25(5)13-14-31-17-22(27)26-11-8-20(9-12-26)7-10-24(3)4/h15-16,20H,7-14,17H2,1-6H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420571 (CHEMBL2087432) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C26H44N4O5S/c1-20(2)28-11-13-29(14-12-28)23-7-9-30(10-8-23)25(31)19-35-16-15-27(5)36(32,33)26-21(3)17-24(34-6)18-22(26)4/h17-18,20,23H,7-16,19H2,1-6H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420601 (CHEMBL2087412) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1c(Cl)cccc1Cl |t:10| Show InChI InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420598 (CHEMBL2087413) Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc1ccc(cc1)C1=NCCN1 |t:31| Show InChI InChI=1S/C23H29ClN4O5S/c1-27(15-17-4-6-18(7-5-17)23-25-10-11-26-23)22(29)16-33-13-12-28(2)34(30,31)21-9-8-19(32-3)14-20(21)24/h4-9,14H,10-13,15-16H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420577 (CHEMBL2087424) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC2CCN(C)CC2)CC1 Show InChI InChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-12-10-28(11-13-29)18-22-6-8-26(3)9-7-22/h16-17,22H,6-15,18-19H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01635 BindingDB Entry DOI: 10.7270/Q2JM2F72
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420568 (CHEMBL2087435) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CN2CCN(C)CC2)CC1 Show InChI InChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-8-6-22(7-9-29)18-28-12-10-26(3)11-13-28/h16-17,22H,6-15,18-19H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420596 (CHEMBL2087410) Show SMILES COc1ccc(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N(C)Cc1ccc(cc1)C1=NCCN1 |t:31| Show InChI InChI=1S/C24H32N4O5S/c1-18-15-21(32-4)9-10-22(18)34(30,31)28(3)13-14-33-17-23(29)27(2)16-19-5-7-20(8-6-19)24-25-11-12-26-24/h5-10,15H,11-14,16-17H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420583 (CHEMBL2087418) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)[C@@H]1CN2CCC1CC2 |r,wD:27.28,(-8.78,-41.55,;-8.78,-43.09,;-7.45,-43.86,;-6.11,-43.09,;-4.77,-43.85,;-3.56,-42.83,;-4.76,-45.41,;-6.11,-46.19,;-6.11,-47.73,;-7.45,-45.41,;-3.42,-46.18,;-2.66,-47.51,;-4.19,-47.51,;-2.09,-45.47,;-2.17,-43.87,;-.75,-46.19,;.55,-45.38,;1.91,-46.11,;3.22,-45.3,;4.58,-46.02,;4.62,-47.56,;5.89,-45.21,;7.24,-45.95,;8.54,-45.15,;8.5,-43.61,;7.15,-42.88,;5.83,-43.68,;9.82,-42.8,;9.77,-41.27,;11.09,-40.47,;12.44,-41.2,;12.48,-42.74,;11.17,-43.54,;11.64,-42.56,;10.31,-41.79,)| Show InChI InChI=1S/C25H40N4O5S/c1-19-15-22(33-4)16-20(2)25(19)35(31,32)26(3)13-14-34-18-24(30)29-11-9-28(10-12-29)23-17-27-7-5-21(23)6-8-27/h15-16,21,23H,5-14,17-18H2,1-4H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420574 (CHEMBL2087427) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CCCN(C)C)CC1 Show InChI InChI=1S/C23H40N4O5S/c1-19-16-21(31-6)17-20(2)23(19)33(29,30)25(5)14-15-32-18-22(28)27-12-10-26(11-13-27)9-7-8-24(3)4/h16-17H,7-15,18H2,1-6H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420600 (CHEMBL2087415) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1C |t:10| Show InChI InChI=1S/C23H29ClN4O4S/c1-17-20(24)5-4-6-21(17)33(30,31)28(3)13-14-32-16-22(29)27(2)15-18-7-9-19(10-8-18)23-25-11-12-26-23/h4-10H,11-16H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420572 (CHEMBL2087431) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-8-6-21(7-9-28)27-12-10-25(3)11-13-27/h16-17,21H,6-15,18H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420575 (CHEMBL2087428) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C(C)(C)CN(C)C Show InChI InChI=1S/C25H43N3O5S/c1-19-15-22(32-8)16-20(2)24(19)34(30,31)27(7)13-14-33-17-23(29)28-11-9-21(10-12-28)25(3,4)18-26(5)6/h15-16,21H,9-14,17-18H2,1-8H3	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
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420576 (CHEMBL2087426) Show SMILES CCN(CC)CCN1CCN(CC1)C(=O)COCCN(C)S(=O)(=O)c1c(C)cc(OC)cc1C Show InChI InChI=1S/C24H42N4O5S/c1-7-26(8-2)9-10-27-11-13-28(14-12-27)23(29)19-33-16-15-25(5)34(30,31)24-20(3)17-22(32-6)18-21(24)4/h17-18H,7-16,19H2,1-6H3	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
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420594 (CHEMBL2087036) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)\C=C\CN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl |t:10| Show InChI InChI=1S/C23H26Cl2N4O3S/c1-16-19(24)10-11-20(22(16)25)33(31,32)29(3)14-4-5-21(30)28(2)15-17-6-8-18(9-7-17)23-26-12-13-27-23/h4-11H,12-15H2,1-3H3,(H,26,27)/b5-4+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420593 (CHEMBL2087034) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CCN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl |t:10| Show InChI InChI=1S/C22H26Cl2N4O3S/c1-15-18(23)8-9-19(21(15)24)32(30,31)28(3)13-10-20(29)27(2)14-16-4-6-17(7-5-16)22-25-11-12-26-22/h4-9H,10-14H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420586 (CHEMBL2087430) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C(O)CN(C)C Show InChI InChI=1S/C23H39N3O6S/c1-17-13-20(31-6)14-18(2)23(17)33(29,30)25(5)11-12-32-16-22(28)26-9-7-19(8-10-26)21(27)15-24(3)4/h13-14,19,21,27H,7-12,15-16H2,1-6H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420584 (CHEMBL2087419) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)[C@H]1CN2CCC1CC2 |r,wU:27.28,(10.11,-44.7,;10.11,-46.24,;11.44,-47.01,;12.78,-46.24,;14.12,-47,;15.32,-45.98,;14.12,-48.56,;12.78,-49.34,;12.78,-50.88,;11.44,-48.56,;15.46,-49.33,;16.22,-50.66,;14.69,-50.66,;16.8,-48.62,;16.71,-47.02,;18.13,-49.34,;19.44,-48.53,;20.8,-49.26,;22.11,-48.45,;23.46,-49.17,;23.51,-50.71,;24.77,-48.36,;26.12,-49.1,;27.43,-48.3,;27.39,-46.76,;26.03,-46.03,;24.72,-46.83,;28.7,-45.95,;28.65,-44.42,;29.97,-43.62,;31.33,-44.35,;31.36,-45.89,;30.05,-46.69,;30.52,-45.71,;29.19,-44.94,)| Show InChI InChI=1S/C25H40N4O5S/c1-19-15-22(33-4)16-20(2)25(19)35(31,32)26(3)13-14-34-18-24(30)29-11-9-28(10-12-29)23-17-27-7-5-21(23)6-8-27/h15-16,21,23H,5-14,17-18H2,1-4H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420591 (CHEMBL2087029) Show SMILES Cc1c(Cl)ccc(c1Cl)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC1CCNCC1 |r| Show InChI InChI=1S/C28H39Cl2N5O4S/c1-19-22(29)10-11-25(26(19)30)40(38,39)35-24(17-20-7-3-2-4-8-20)28(37)34-23(9-5-6-14-31)27(36)33-18-21-12-15-32-16-13-21/h2-4,7-8,10-11,21,23-24,32,35H,5-6,9,12-18,31H2,1H3,(H,33,36)(H,34,37)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Binding affinity to B1 receptor				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420599 (CHEMBL2087414) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C#N |t:10| Show InChI InChI=1S/C23H27N5O4S/c1-27(16-18-7-9-19(10-8-18)23-25-11-12-26-23)22(29)17-32-14-13-28(2)33(30,31)21-6-4-3-5-20(21)15-24/h3-10H,11-14,16-17H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420592 (CHEMBL2087033) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CCCN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl |t:10| Show InChI InChI=1S/C23H28Cl2N4O3S/c1-16-19(24)10-11-20(22(16)25)33(31,32)29(3)14-4-5-21(30)28(2)15-17-6-8-18(9-7-17)23-26-12-13-27-23/h6-11H,4-5,12-15H2,1-3H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420567 (CHEMBL2087436) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C)c1Cl |t:10| Show InChI InChI=1S/C23H27Cl2N5O4S/c1-15-18(24)8-9-19(22(15)25)35(33,34)30(3)14-20(31)28-12-21(32)29(2)13-16-4-6-17(7-5-16)23-26-10-11-27-23/h4-9H,10-14H2,1-3H3,(H,26,27)(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420585 (CHEMBL2087417) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |t:10| Show InChI InChI=1S/C23H27F3N4O5S/c1-29(15-17-3-5-18(6-4-17)22-27-11-12-28-22)21(31)16-34-14-13-30(2)36(32,33)20-9-7-19(8-10-20)35-23(24,25)26/h3-10H,11-16H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420590 (CHEMBL2087030) Show SMILES Cc1c(Cl)ccc(c1Cl)S(=O)(=O)N(CCc1ccccc1)CC(=O)NCC(=O)N(CCCCN)CC1CCNCC1 Show InChI InChI=1S/C29H41Cl2N5O4S/c1-22-25(30)9-10-26(29(22)31)41(39,40)36(18-13-23-7-3-2-4-8-23)21-27(37)34-19-28(38)35(17-6-5-14-32)20-24-11-15-33-16-12-24/h2-4,7-10,24,33H,5-6,11-21,32H2,1H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Binding affinity to B1 receptor				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420578 (CHEMBL2087425) Show SMILES COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C22H38N4O5S/c1-18-15-20(30-6)16-19(2)22(18)32(28,29)24(5)13-14-31-17-21(27)26-11-9-25(10-12-26)8-7-23(3)4/h15-16H,7-14,17H2,1-6H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50420588 (CHEMBL2087027) Show SMILES Cc1ccc2cccc(OCc3cc(ccc3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCC3CCNCC3)c2n1 |r| Show InChI InChI=1S/C28H33ClN4O4S/c1-19-7-8-21-4-2-6-26(27(21)32-19)37-18-22-16-23(9-10-24(22)29)38(35,36)33-15-3-5-25(33)28(34)31-17-20-11-13-30-14-12-20/h2,4,6-10,16,20,25,30H,3,5,11-15,17-18H2,1H3,(H,31,34)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Binding affinity to B2 receptor				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420602 (CHEMBL2087416) Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1c(F)cccc1F |t:10| Show InChI InChI=1S/C22H26F2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50051375 ((6S,8aS)-5,5,8a-Trimethyl-2-((E)-1,5,9-trimethyl-d...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:15| Show InChI InChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12+/t21?,23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier SCA Curated by ChEMBL					Assay Description Binding affinity towards competitive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase				J Med Chem 39: 2302-12 (1996) Article DOI: 10.1021/jm9504621 BindingDB Entry DOI: 10.7270/Q28G8JTB
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50051375 ((6S,8aS)-5,5,8a-Trimethyl-2-((E)-1,5,9-trimethyl-d...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:15| Show InChI InChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12+/t21?,23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier SCA Curated by ChEMBL					Assay Description Binding affinity towards noncompetetive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase				J Med Chem 39: 2302-12 (1996) Article DOI: 10.1021/jm9504621 BindingDB Entry DOI: 10.7270/Q28G8JTB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420587 (CHEMBL2087028) Show SMILES Cc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCC[C@H]1C(=O)NCC1CCNCC1 |r| Show InChI InChI=1S/C18H25Cl2N3O3S/c1-12-14(19)4-5-16(17(12)20)27(25,26)23-10-2-3-15(23)18(24)22-11-13-6-8-21-9-7-13/h4-5,13,15,21H,2-3,6-11H2,1H3,(H,22,24)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Binding affinity to B1 receptor				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50420588 (CHEMBL2087027) Show SMILES Cc1ccc2cccc(OCc3cc(ccc3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCC3CCNCC3)c2n1 |r| Show InChI InChI=1S/C28H33ClN4O4S/c1-19-7-8-21-4-2-6-26(27(21)32-19)37-18-22-16-23(9-10-24(22)29)38(35,36)33-15-3-5-25(33)28(34)31-17-20-11-13-30-14-12-20/h2,4,6-10,16,20,25,30H,3,5,11-15,17-18H2,1H3,(H,31,34)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Binding affinity to B1 receptor				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human coagulation factor Xa using Boc-Ile-Glu-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01635 BindingDB Entry DOI: 10.7270/Q2JM2F72
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50420587 (CHEMBL2087028) Show SMILES Cc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCC[C@H]1C(=O)NCC1CCNCC1 |r| Show InChI InChI=1S/C18H25Cl2N3O3S/c1-12-14(19)4-5-16(17(12)20)27(25,26)23-10-2-3-15(23)18(24)22-11-13-6-8-21-9-7-13/h4-5,13,15,21H,2-3,6-11H2,1H3,(H,22,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier Curated by ChEMBL					Assay Description Binding affinity to B2 receptor				J Med Chem 55: 2574-84 (2012) Article DOI: 10.1021/jm2016057 BindingDB Entry DOI: 10.7270/Q20C4X1J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50585527 (CHEMBL5084861) Show SMILES COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	>0.158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01765 BindingDB Entry DOI: 10.7270/Q25T3QDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50544830 (CHEMBL4635876) Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cc(F)ccc3F)n2)cn1 Show InChI InChI=1S/C16H15ClF2N6O/c17-13-8-21-16(23-12-7-22-25(9-12)3-4-26)24-15(13)20-6-10-5-11(18)1-2-14(10)19/h1-2,5,7-9,26H,3-4,6H2,(H2,20,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>0.158	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115326 BindingDB Entry DOI: 10.7270/Q2H70KD3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50585514 (CHEMBL5086526) Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01765 BindingDB Entry DOI: 10.7270/Q25T3QDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50585515 (CHEMBL5076189) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01765 BindingDB Entry DOI: 10.7270/Q25T3QDN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50544831 (CHEMBL4634979) Show SMILES COc1cc(ccc1OCCCN1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1 Show InChI InChI=1S/C33H36F2N4O5S/c1-42-32-20-23(6-7-31(32)44-13-3-8-38-9-14-43-15-10-38)30-21-36-29-5-2-4-25(33(29)37-30)24-18-27(34)26(28(35)19-24)22-39-11-16-45(40,41)17-12-39/h2,4-7,18-21H,3,8-17,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115326 BindingDB Entry DOI: 10.7270/Q2H70KD3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50585527 (CHEMBL5084861) Show SMILES COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01765 BindingDB Entry DOI: 10.7270/Q25T3QDN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1085 total )  |  Next  |  Last  >>

Jump to: