Found 8 hits for monomerid = 50311413 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)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | 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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | 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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 using 7-{3-(4-phenylpiperazin-1-ylmethyl)benzyl}resorufin as substrate |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | 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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C19 |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | 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 | >1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | 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 | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human gherlin receptor |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |
Motilin receptor
(Homo sapiens (Human)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.31 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50311413
(CHEMBL1078595 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3...)Show SMILES O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP2C9 |
Bioorg Med Chem Lett 19: 6452-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.027 BindingDB Entry DOI: 10.7270/Q2DV1K0C |
More data for this Ligand-Target Pair | |