Found 68 hits with Last Name = 'bohn' and Initial = 'dl' 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 |
Prothrombin
(Homo sapiens (Human)) | BDBM50126493
(2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371333
(CHEMBL256671)Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16Cl2F4N2O4/c1-8(27-17(29)18(2,30)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16(28)31-3/h4-8,30H,1-3H3,(H,27,29)/t8-,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371320
(CHEMBL271283)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1Cl)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16Cl2F4N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-12(21)4-9(7-26-15)11-5-10(20)6-13(22)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371321
(CHEMBL258326)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nc(C)no1 Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50229295
((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126483
(2-[3-Amino-4-(cyclobutylmethyl-sulfamoyl)-6-methyl...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CCC1 Show InChI InChI=1S/C20H28N6O4S/c1-12-8-16(31(29,30)24-9-14-4-3-5-14)19(22)20(28)26(12)11-18(27)23-10-15-6-7-17(21)25-13(15)2/h6-8,14,24H,3-5,9-11,22H2,1-2H3,(H2,21,25)(H,23,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371322
(CHEMBL257729)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nc(C)no1 Show InChI InChI=1S/C20H16Cl2F4N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126495
(2-(3-Amino-4-cyclopentylmethanesulfonyl-6-methyl-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-9-17(31(29,30)12-15-5-3-4-6-15)20(23)21(28)26(13)11-19(27)24-10-16-7-8-18(22)25-14(16)2/h7-9,15H,3-6,10-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50202419
(3,3'-Difluoro-4'-({[1-(2,2,2-trifluoro-acetylamino...)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C21H17F5N2O4/c1-32-17(29)16-13(3-2-4-14(16)22)11-5-6-12(15(23)9-11)10-27-18(30)20(7-8-20)28-19(31)21(24,25)26/h2-6,9H,7-8,10H2,1H3,(H,27,30)(H,28,31) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126498
(2-(3-Amino-6-methyl-2-oxo-4-phenylmethanesulfonyl-...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O4S/c1-14-10-18(32(30,31)13-16-6-4-3-5-7-16)21(24)22(29)27(14)12-20(28)25-11-17-8-9-19(23)26-15(17)2/h3-10H,11-13,24H2,1-2H3,(H2,23,26)(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126494
(2-(3-Amino-4-cyclobutylsulfamoyl-6-methyl-2-oxo-2H...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NC1CCC1 Show InChI InChI=1S/C19H26N6O4S/c1-11-8-15(30(28,29)24-14-4-3-5-14)18(21)19(27)25(11)10-17(26)22-9-13-6-7-16(20)23-12(13)2/h6-8,14,24H,3-5,9-10,21H2,1-2H3,(H2,20,23)(H,22,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126499
(2-[3-Amino-6-methyl-2-oxo-4-(thiophene-2-sulfonyl)...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C19H21N5O4S2/c1-11-8-14(30(27,28)17-4-3-7-29-17)18(21)19(26)24(11)10-16(25)22-9-13-5-6-15(20)23-12(13)2/h3-8H,9-10,21H2,1-2H3,(H2,20,23)(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126490
(2-(3-Amino-4-cyclopropylmethanesulfonyl-6-methyl-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CC1 Show InChI InChI=1S/C19H25N5O4S/c1-11-7-15(29(27,28)10-13-3-4-13)18(21)19(26)24(11)9-17(25)22-8-14-5-6-16(20)23-12(14)2/h5-7,13H,3-4,8-10,21H2,1-2H3,(H2,20,23)(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50229295
((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to monkey bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126486
(CHEMBL32549 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(CC3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C20H26N6O4S/c1-12-7-16-19(23-11-25(31(16,29)30)9-14-3-4-14)20(28)26(12)10-18(27)22-8-15-5-6-17(21)24-13(15)2/h5-7,14,23H,3-4,8-11H2,1-2H3,(H2,21,24)(H,22,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50229295
((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to rat bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126491
(2-(3-Amino-4-cyclohexanesulfonyl-6-methyl-2-oxo-2H...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h8-10,16H,3-7,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126488
(2-(3-Amino-4-benzenesulfonyl-6-methyl-2-oxo-2H-pyr...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H23N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h3-10H,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126485
(CHEMBL416033 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)Show SMILES Cc1cc2c(NCN(CC3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C21H28N6O4S/c1-13-8-17-20(24-12-26(32(17,30)31)10-15-4-3-5-15)21(29)27(13)11-19(28)23-9-16-6-7-18(22)25-14(16)2/h6-8,15,24H,3-5,9-12H2,1-2H3,(H2,22,25)(H,23,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126492
(2-[3-Amino-4-(cyclopropylmethyl-sulfamoyl)-6-methy...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C19H26N6O4S/c1-11-7-15(30(28,29)23-8-13-3-4-13)18(21)19(27)25(11)10-17(26)22-9-14-5-6-16(20)24-12(14)2/h5-7,13,23H,3-4,8-10,21H2,1-2H3,(H2,20,24)(H,22,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126496
(2-(3-Amino-4-cyclopropylsulfamoyl-6-methyl-2-oxo-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C18H24N6O4S/c1-10-7-14(29(27,28)23-13-4-5-13)17(20)18(26)24(10)9-16(25)21-8-12-3-6-15(19)22-11(12)2/h3,6-7,13,23H,4-5,8-9,20H2,1-2H3,(H2,19,22)(H,21,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126487
(CHEMBL34614 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(C3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C20H26N6O4S/c1-12-8-16-19(23-11-26(31(16,29)30)15-4-3-5-15)20(28)25(12)10-18(27)22-9-14-6-7-17(21)24-13(14)2/h6-8,15,23H,3-5,9-11H2,1-2H3,(H2,21,24)(H,22,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Oryctolagus cuniculus) | BDBM50229295
((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to rabbit bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126489
(2-(3-Amino-4-cyclopropanesulfonyl-6-methyl-2-oxo-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C18H23N5O4S/c1-10-7-14(28(26,27)13-4-5-13)17(20)18(25)23(10)9-16(24)21-8-12-3-6-15(19)22-11(12)2/h3,6-7,13H,4-5,8-9,20H2,1-2H3,(H2,19,22)(H,21,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126484
(CHEMBL32686 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(C3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C19H24N6O4S/c1-11-7-15-18(22-10-25(14-4-5-14)30(15,28)29)19(27)24(11)9-17(26)21-8-13-3-6-16(20)23-12(13)2/h3,6-7,14,22H,4-5,8-10H2,1-2H3,(H2,20,23)(H,21,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371318
(CHEMBL402114)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16F5NO4/c1-18(28,19(22,23)24)17(27)25-9-11-7-6-10(8-14(11)21)12-4-3-5-13(20)15(12)16(26)29-2/h3-8,28H,9H2,1-2H3,(H,25,27)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371319
(CHEMBL428954)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(O)CC2)c(F)c1 Show InChI InChI=1S/C19H17F2NO4/c1-26-17(23)16-13(3-2-4-14(16)20)11-5-6-12(15(21)9-11)10-22-18(24)19(25)7-8-19/h2-6,9,25H,7-8,10H2,1H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371325
(CHEMBL269948)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)C)c(F)c1 Show InChI InChI=1S/C20H21F2NO4/c1-11(2)18(24)19(25)23-10-13-8-7-12(9-16(13)22)14-5-4-6-15(21)17(14)20(26)27-3/h4-9,11,18,24H,10H2,1-3H3,(H,23,25)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 71.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371334
(CHEMBL272791)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(C)C)c(F)c1 Show InChI InChI=1S/C21H23F2NO4/c1-12(2)21(3,27)20(26)24-11-14-9-8-13(10-17(14)23)15-6-5-7-16(22)18(15)19(25)28-4/h5-10,12,27H,11H2,1-4H3,(H,24,26)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 83.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371324
(CHEMBL272491)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)(C)C)c(F)c1 Show InChI InChI=1S/C21H23F2NO4/c1-21(2,3)18(25)19(26)24-11-13-9-8-12(10-16(13)23)14-6-5-7-15(22)17(14)20(27)28-4/h5-10,18,25H,11H2,1-4H3,(H,24,26)/t18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 88.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126497
(2-[3-Amino-6-methyl-2-oxo-4-(toluene-4-sulfonyl)-2...)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(C)n(CC(=O)NCc2ccc(N)nc2C)c(=O)c1N Show InChI InChI=1S/C22H25N5O4S/c1-13-4-7-17(8-5-13)32(30,31)18-10-14(2)27(22(29)21(18)24)12-20(28)25-11-16-6-9-19(23)26-15(16)3/h4-10H,11-12,24H2,1-3H3,(H2,23,26)(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371336
(CHEMBL257016)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C(O)(C(F)(F)F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H13F8NO4/c1-32-15(29)14-11(3-2-4-12(14)20)9-5-6-10(13(21)7-9)8-28-16(30)17(31,18(22,23)24)19(25,26)27/h2-7,31H,8H2,1H3,(H,28,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371335
(CHEMBL269949)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C18H14F5NO4/c1-28-17(27)14-11(3-2-4-12(14)19)9-5-6-10(13(20)7-9)8-24-16(26)15(25)18(21,22)23/h2-7,15,25H,8H2,1H3,(H,24,26)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371330
(CHEMBL428601)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C(C)(C)O)c(F)c1 Show InChI InChI=1S/C19H19F2NO4/c1-19(2,25)18(24)22-10-12-8-7-11(9-15(12)21)13-5-4-6-14(20)16(13)17(23)26-3/h4-9,25H,10H2,1-3H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Canis familiaris) | BDBM50229295
((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to dog bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126491
(2-(3-Amino-4-cyclohexanesulfonyl-6-methyl-2-oxo-2H...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h8-10,16H,3-7,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126499
(2-[3-Amino-6-methyl-2-oxo-4-(thiophene-2-sulfonyl)...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C19H21N5O4S2/c1-11-8-14(30(27,28)17-4-3-7-29-17)18(21)19(26)24(11)10-16(25)22-9-13-5-6-15(20)23-12(13)2/h3-8H,9-10,21H2,1-2H3,(H2,20,23)(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371326
(CHEMBL273156)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@H](O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C18H14F5NO4/c1-28-17(27)14-11(3-2-4-12(14)19)9-5-6-10(13(20)7-9)8-24-16(26)15(25)18(21,22)23/h2-7,15,25H,8H2,1H3,(H,24,26)/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 479 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126488
(2-(3-Amino-4-benzenesulfonyl-6-methyl-2-oxo-2H-pyr...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H23N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h3-10H,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371331
(CHEMBL257053)Show InChI InChI=1S/C17H15F2NO4/c1-24-17(23)16-12(3-2-4-13(16)18)10-5-6-11(14(19)7-10)8-20-15(22)9-21/h2-7,21H,8-9H2,1H3,(H,20,22) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 516 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126493
(2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371323
(CHEMBL404246)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16F5NO4/c1-18(28,19(22,23)24)17(27)25-9-11-7-6-10(8-14(11)21)12-4-3-5-13(20)15(12)16(26)29-2/h3-8,28H,9H2,1-2H3,(H,25,27)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 579 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126495
(2-(3-Amino-4-cyclopentylmethanesulfonyl-6-methyl-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-9-17(31(29,30)12-15-5-3-4-6-15)20(23)21(28)26(13)11-19(27)24-10-16-7-8-18(22)25-14(16)2/h7-9,15H,3-6,10-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371328
(CHEMBL270017)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@H](C)O)c(F)c1 Show InChI InChI=1S/C18H17F2NO4/c1-10(22)17(23)21-9-12-7-6-11(8-15(12)20)13-4-3-5-14(19)16(13)18(24)25-2/h3-8,10,22H,9H2,1-2H3,(H,21,23)/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126483
(2-[3-Amino-4-(cyclobutylmethyl-sulfamoyl)-6-methyl...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CCC1 Show InChI InChI=1S/C20H28N6O4S/c1-12-8-16(31(29,30)24-9-14-4-3-5-14)19(22)20(28)26(12)11-18(27)23-10-15-6-7-17(21)25-13(15)2/h6-8,14,24H,3-5,9-11,22H2,1-2H3,(H2,21,25)(H,23,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126497
(2-[3-Amino-6-methyl-2-oxo-4-(toluene-4-sulfonyl)-2...)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(C)n(CC(=O)NCc2ccc(N)nc2C)c(=O)c1N Show InChI InChI=1S/C22H25N5O4S/c1-13-4-7-17(8-5-13)32(30,31)18-10-14(2)27(22(29)21(18)24)12-20(28)25-11-16-6-9-19(23)26-15(16)3/h4-10H,11-12,24H2,1-3H3,(H2,23,26)(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126492
(2-[3-Amino-4-(cyclopropylmethyl-sulfamoyl)-6-methy...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C19H26N6O4S/c1-11-7-15(30(28,29)23-8-13-3-4-13)18(21)19(27)25(11)10-17(26)22-9-14-5-6-16(20)24-12(14)2/h5-7,13,23H,3-4,8-10,21H2,1-2H3,(H2,20,24)(H,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371327
(CHEMBL403519)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](C)O)c(F)c1 Show InChI InChI=1S/C18H17F2NO4/c1-10(22)17(23)21-9-12-7-6-11(8-15(12)20)13-4-3-5-14(19)16(13)18(24)25-2/h3-8,10,22H,9H2,1-2H3,(H,21,23)/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371329
(CHEMBL256793)Show SMILES CCC(O)(CC)C(=O)NCc1ccc(cc1F)-c1cccc(F)c1C(=O)OC Show InChI InChI=1S/C21H23F2NO4/c1-4-21(27,5-2)20(26)24-12-14-10-9-13(11-17(14)23)15-7-6-8-16(22)18(15)19(25)28-3/h6-11,27H,4-5,12H2,1-3H3,(H,24,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |