Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50041955 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 |
|---|
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419384
(CHEMBL1916289)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C24H26F4N4O3S/c1-14-20(22(33)29-15(2)23(3,4)5)21(32(30-14)18-10-8-17(25)9-11-18)31-36(34,35)19-12-6-16(7-13-19)24(26,27)28/h6-13,15,31H,1-5H3,(H,29,33)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419381
(CHEMBL1916284)Show SMILES C[C@H](NC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)n(nc1C(F)(F)F)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H27F3N4O3S/c1-15-11-13-18(14-12-15)35(33,34)30-21-19(22(32)28-16(2)23(3,4)5)20(24(25,26)27)29-31(21)17-9-7-6-8-10-17/h6-14,16,30H,1-5H3,(H,28,32)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419356
(CHEMBL1916288)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419372
(CHEMBL1916271)Show SMILES CCN(C1CCCCC1)C(=O)c1cnn(c1NS(=O)(=O)c1ccc(cc1)-c1cnco1)-c1ccccc1 Show InChI InChI=1S/C27H29N5O4S/c1-2-31(21-9-5-3-6-10-21)27(33)24-17-29-32(22-11-7-4-8-12-22)26(24)30-37(34,35)23-15-13-20(14-16-23)25-18-28-19-36-25/h4,7-8,11-19,21,30H,2-3,5-6,9-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419355
(CHEMBL1916282)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419355
(CHEMBL1916282)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419376
(CHEMBL1916277)Show SMILES CC1CCCCC1NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C25H30N4O3S/c1-17-13-15-21(16-14-17)33(31,32)28-24-23(25(30)26-22-12-8-7-9-18(22)2)19(3)27-29(24)20-10-5-4-6-11-20/h4-6,10-11,13-16,18,22,28H,7-9,12H2,1-3H3,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419379
(CHEMBL1916280)Show SMILES CCC(C)NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C22H26N4O3S/c1-5-16(3)23-22(27)20-17(4)24-26(18-9-7-6-8-10-18)21(20)25-30(28,29)19-13-11-15(2)12-14-19/h6-14,16,25H,5H2,1-4H3,(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419387
(CHEMBL1916255)Show SMILES CCCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C23H28N4O3S/c1-4-9-18(5-2)25-23(28)21-16-24-27(19-10-7-6-8-11-19)22(21)26-31(29,30)20-14-12-17(3)13-15-20/h6-8,10-16,18,26H,4-5,9H2,1-3H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50418334
(CHEMBL1770298)Show SMILES Cc1ccc(s1)C(NC(=O)c1ccccc1O)C(=O)Nc1c(C)cccc1C Show InChI InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419380
(CHEMBL1916283)Show SMILES C[C@@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50418335
(CHEMBL1770297)Show SMILES CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ccccc4[nH]3)c(C)c2c1 Show InChI InChI=1S/C23H25N3O3S/c1-4-28-15-9-10-20-16(13-15)14(2)21(29-20)23(27)26-19(11-12-30-3)22-24-17-7-5-6-8-18(17)25-22/h5-10,13,19H,4,11-12H2,1-3H3,(H,24,25)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419373
(CHEMBL1916272)Show SMILES CCC(CC)NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C23H28N4O3S/c1-5-18(6-2)24-23(28)21-17(4)25-27(19-10-8-7-9-11-19)22(21)26-31(29,30)20-14-12-16(3)13-15-20/h7-15,18,26H,5-6H2,1-4H3,(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419386
(CHEMBL1916274)Show SMILES Cc1nn(c(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)NC1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C24H28N4O3S/c1-17-13-15-21(16-14-17)32(30,31)27-23-22(24(29)25-19-9-5-3-6-10-19)18(2)26-28(23)20-11-7-4-8-12-20/h4,7-8,11-16,19,27H,3,5-6,9-10H2,1-2H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419360
(CHEMBL1916087)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(C)cc1C Show InChI InChI=1S/C26H26N4O3S/c1-18-10-13-23(14-11-18)34(32,33)29-25-24(17-28-30(25)22-7-5-4-6-8-22)26(31)27-16-21-12-9-19(2)15-20(21)3/h4-15,17,29H,16H2,1-3H3,(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419382
(CHEMBL1916286)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)C1CCCCC1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C23H34N4O3S/c1-16-20(22(28)24-17(2)23(3,4)5)21(27(25-16)18-12-8-6-9-13-18)26-31(29,30)19-14-10-7-11-15-19/h6,8-9,12-13,17,19,26H,7,10-11,14-15H2,1-5H3,(H,24,28)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419383
(CHEMBL1916287)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1cccnc1)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C22H26FN5O3S/c1-14-19(21(29)25-15(2)22(3,4)5)20(27-32(30,31)18-7-6-12-24-13-18)28(26-14)17-10-8-16(23)9-11-17/h6-13,15,27H,1-5H3,(H,25,29)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419375
(CHEMBL1916276)Show SMILES CC1CCCCC1NC(=O)c1cnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C24H28N4O3S/c1-17-12-14-20(15-13-17)32(30,31)27-23-21(16-25-28(23)19-9-4-3-5-10-19)24(29)26-22-11-7-6-8-18(22)2/h3-5,9-10,12-16,18,22,27H,6-8,11H2,1-2H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419388
(CHEMBL1916262)Show SMILES CCC(CC)NC(=O)c1ncn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)20-21(26(15-23-20)18-9-7-6-8-10-18)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17,25H,4-5H2,1-3H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419359
(CHEMBL1916085)Show SMILES CN(C1CCCCC1)C(=O)c1cnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C24H28N4O3S/c1-18-13-15-21(16-14-18)32(30,31)26-23-22(17-25-28(23)20-11-7-4-8-12-20)24(29)27(2)19-9-5-3-6-10-19/h4,7-8,11-17,19,26H,3,5-6,9-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419357
(CHEMBL1916082)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)20-15-23-26(18-9-7-6-8-10-18)21(20)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17,25H,4-5H2,1-3H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419378
(CHEMBL1916279)Show SMILES Cc1nn(c(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)NCC(C)(C)C)-c1ccccc1 Show InChI InChI=1S/C23H28N4O3S/c1-16-11-13-19(14-12-16)31(29,30)26-21-20(22(28)24-15-23(3,4)5)17(2)25-27(21)18-9-7-6-8-10-18/h6-14,26H,15H2,1-5H3,(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419390
(CHEMBL1916275)Show SMILES CN(C1CCCCC1)C(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C25H30N4O3S/c1-18-14-16-22(17-15-18)33(31,32)27-24-23(25(30)28(3)20-10-6-4-7-11-20)19(2)26-29(24)21-12-8-5-9-13-21/h5,8-9,12-17,20,27H,4,6-7,10-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419358
(CHEMBL1916084)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(cnn1-c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H26N4O3S/c1-17-12-14-20(15-13-17)31(29,30)26-22-21(23(28)25-18-8-4-2-5-9-18)16-24-27(22)19-10-6-3-7-11-19/h3,6-7,10-16,18,26H,2,4-5,8-9H2,1H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419365
(CHEMBL1916261)Show SMILES CCC(CC)NC(=O)c1nnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C21H25N5O3S/c1-4-16(5-2)22-21(27)19-20(26(25-23-19)17-9-7-6-8-10-17)24-30(28,29)18-13-11-15(3)12-14-18/h6-14,16,24H,4-5H2,1-3H3,(H,22,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419364
(CHEMBL1916260)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)C1CCCC1)-c1ccccc1 Show InChI InChI=1S/C20H28N4O3S/c1-3-15(4-2)22-20(25)18-14-21-24(16-10-6-5-7-11-16)19(18)23-28(26,27)17-12-8-9-13-17/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419370
(CHEMBL1916267)Show SMILES CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H28N4O3S/c1-4-19(5-2)25-23(28)21-15-24-27(16-18-9-7-6-8-10-18)22(21)26-31(29,30)20-13-11-17(3)12-14-20/h6-15,19,26H,4-5,16H2,1-3H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419363
(CHEMBL1916259)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H24N4O3S/c1-3-16(4-2)23-21(26)19-15-22-25(17-11-7-5-8-12-17)20(19)24-29(27,28)18-13-9-6-10-14-18/h5-16,24H,3-4H2,1-2H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419371
(CHEMBL1916270)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccc(cc1)-c1cnco1)-c1ccccc1 Show InChI InChI=1S/C24H25N5O4S/c1-3-18(4-2)27-24(30)21-14-26-29(19-8-6-5-7-9-19)23(21)28-34(31,32)20-12-10-17(11-13-20)22-15-25-16-33-22/h5-16,18,28H,3-4H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419377
(CHEMBL1916278)Show SMILES Cc1nn(c(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)NC1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C23H26N4O4S/c1-16-8-10-20(11-9-16)32(29,30)26-22-21(23(28)24-18-12-14-31-15-13-18)17(2)25-27(22)19-6-4-3-5-7-19/h3-11,18,26H,12-15H2,1-2H3,(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419374
(CHEMBL1916273)Show SMILES CC(C)NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C21H24N4O3S/c1-14(2)22-21(26)19-16(4)23-25(17-8-6-5-7-9-17)20(19)24-29(27,28)18-12-10-15(3)11-13-18/h5-14,24H,1-4H3,(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419362
(CHEMBL1916258)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccccc1C)-c1ccccc1 Show InChI InChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)19-15-23-26(18-12-7-6-8-13-18)21(19)25-30(28,29)20-14-10-9-11-16(20)3/h6-15,17,25H,4-5H2,1-3H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419385
(CHEMBL1916086)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H22N4O3S/c1-18-12-14-21(15-13-18)32(30,31)27-23-22(17-26-28(23)20-10-6-3-7-11-20)24(29)25-16-19-8-4-2-5-9-19/h2-15,17,27H,16H2,1H3,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419389
(CHEMBL1916268)Show SMILES CCC(CC)NC(=O)c1cnn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H28N4O3S/c1-6-15(7-2)21-19(24)17-12-20-23(13(3)4)18(17)22-27(25,26)16-10-8-14(5)9-11-16/h8-13,15,22H,6-7H2,1-5H3,(H,21,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419361
(CHEMBL1916257)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(cnn1-c1ccccc1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C22H24N4O4S/c1-16-7-9-19(10-8-16)31(28,29)25-21-20(22(27)24-17-11-13-30-14-12-17)15-23-26(21)18-5-3-2-4-6-18/h2-10,15,17,25H,11-14H2,1H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50419356
(CHEMBL1916288)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50419356
(CHEMBL1916288)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419366
(CHEMBL1916263)Show SMILES CCC(CC)NC(=O)c1cn(nc1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI InChI=1S/C22H26N4O3S/c1-4-17(5-2)23-22(27)20-15-26(18-9-7-6-8-10-18)24-21(20)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17H,4-5H2,1-3H3,(H,23,27)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419367
(CHEMBL1916264)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H25ClN4O3S/c1-4-16(5-2)25-22(28)18-14-24-27(20-9-7-6-8-19(20)23)21(18)26-31(29,30)17-12-10-15(3)11-13-17/h6-14,16,26H,4-5H2,1-3H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50419355
(CHEMBL1916282)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50419355
(CHEMBL1916282)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50419356
(CHEMBL1916288)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50419355
(CHEMBL1916282)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50419356
(CHEMBL1916288)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50419355
(CHEMBL1916282)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50419355
(CHEMBL1916282)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H30N4O3S/c1-16-12-14-20(15-13-16)32(30,31)27-22-21(23(29)25-18(3)24(4,5)6)17(2)26-28(22)19-10-8-7-9-11-19/h7-15,18,27H,1-6H3,(H,25,29)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50419356
(CHEMBL1916288)Show SMILES C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r| Show InChI InChI=1S/C24H26FN5O3S/c1-15-21(23(31)27-16(2)24(3,4)5)22(30(28-15)19-10-8-18(25)9-11-19)29-34(32,33)20-12-6-17(14-26)7-13-20/h6-13,16,29H,1-5H3,(H,27,31)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419368
(CHEMBL1916265)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C23H25N5O3S/c1-4-18(5-2)26-23(29)21-15-25-28(19-10-8-17(14-24)9-11-19)22(21)27-32(30,31)20-12-6-16(3)7-13-20/h6-13,15,18,27H,4-5H2,1-3H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
fMet-Leu-Phe receptor
(Homo sapiens (Human)) | BDBM50419369
(CHEMBL1916266)Show SMILES CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccn1 Show InChI InChI=1S/C21H25N5O3S/c1-4-16(5-2)24-21(27)18-14-23-26(19-8-6-7-13-22-19)20(18)25-30(28,29)17-11-9-15(3)10-12-17/h6-14,16,25H,4-5H2,1-3H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay |
Bioorg Med Chem Lett 21: 6456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.085
BindingDB Entry DOI: 10.7270/Q2WD41VZ |
More data for this
Ligand-Target Pair | |
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