Found 9 hits for monomerid = 50255029 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein substrate |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using phenylpiperazinylmethylbenzylresofurin substrate |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 15.8 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human ERG binding |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human Ghrelin receptor |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50255029
(CHEMBL480219 | {1-[4-((3R,5S)-3,5-Dimethyl-piperaz...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C28H35FN6O/c1-20-17-33(18-21(2)31-20)19-22-6-8-26(9-7-22)35-15-12-30-27(35)28(36)34-13-10-24(11-14-34)32-25-5-3-4-23(29)16-25/h3-9,12,15-16,20-21,24,31-32H,10-11,13-14,17-19H2,1-2H3/t20-,21+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 18: 6429-36 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3 |
More data for this Ligand-Target Pair | |