Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50032241 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 |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326139
![PNG](/data/jpeg/tenK5032/BindingDB_50326139.png) (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nnnn-32)CC1 Show InChI InChI=1S/C24H25N7O/c1-17-8-9-19-20(25-17)5-3-6-21(19)30-14-12-29(13-15-30)11-10-18-4-2-7-22-24(18)32-16-23-26-27-28-31(22)23/h2-9H,10-16H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326136
![PNG](/data/jpeg/tenK5032/BindingDB_50326136.png) (1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)e...)Show SMILES CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H32N6O2/c1-20-10-11-23-24(31-20)7-5-8-25(23)34-16-14-33(15-17-34)13-12-22-6-4-9-26-29(22)37-18-27-28(21(2)32-36-3)30-19-35(26)27/h4-11,19H,12-18H2,1-3H3/b32-21+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326142
![PNG](/data/jpeg/tenK5032/BindingDB_50326142.png) (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...)Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326143
![PNG](/data/jpeg/tenK5032/BindingDB_50326143.png) (1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)e...)Show SMILES CC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C28H29N5O2/c1-19-9-10-22-23(30-19)6-4-7-24(22)32-15-13-31(14-16-32)12-11-21-5-3-8-25-28(21)35-17-26-27(20(2)34)29-18-33(25)26/h3-10,18H,11-17H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326148
![PNG](/data/jpeg/tenK5032/BindingDB_50326148.png) ((6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)eth...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCC2)CC1 Show InChI InChI=1S/C31H34N6O2/c1-22-10-11-24-25(33-22)7-5-8-26(24)35-18-16-34(17-19-35)15-12-23-6-4-9-27-30(23)39-20-28-29(32-21-37(27)28)31(38)36-13-2-3-14-36/h4-11,21H,2-3,12-20H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326146
![PNG](/data/jpeg/tenK5032/BindingDB_50326146.png) (CHEMBL1242081 | N-cyclopropyl-6-(2-(4-(2-methylqui...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CC2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-20-8-11-23-24(32-20)5-3-6-25(23)35-16-14-34(15-17-35)13-12-21-4-2-7-26-29(21)38-18-27-28(31-19-36(26)27)30(37)33-22-9-10-22/h2-8,11,19,22H,9-10,12-18H2,1H3,(H,33,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326145
![PNG](/data/jpeg/tenK5032/BindingDB_50326145.png) (CHEMBL1241998 | N-isopropyl-6-(2-(4-(2-methylquino...)Show SMILES CC(C)NC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C30H34N6O2/c1-20(2)32-30(37)28-27-18-38-29-22(6-4-9-26(29)36(27)19-31-28)12-13-34-14-16-35(17-15-34)25-8-5-7-24-23(25)11-10-21(3)33-24/h4-11,19-20H,12-18H2,1-3H3,(H,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326131
![PNG](/data/jpeg/tenK5032/BindingDB_50326131.png) (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(N)=O)CC1 Show InChI InChI=1S/C27H28N6O2/c1-18-8-9-20-21(30-18)5-3-6-22(20)32-14-12-31(13-15-32)11-10-19-4-2-7-23-26(19)35-16-24-25(27(28)34)29-17-33(23)24/h2-9,17H,10-16H2,1H3,(H2,28,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326132
![PNG](/data/jpeg/tenK5032/BindingDB_50326132.png) (CHEMBL1241912 | N-methyl-6-(2-(4-(2-methylquinolin...)Show SMILES CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C28H30N6O2/c1-19-9-10-21-22(31-19)6-4-7-23(21)33-15-13-32(14-16-33)12-11-20-5-3-8-24-27(20)36-17-25-26(28(35)29-2)30-18-34(24)25/h3-10,18H,11-17H2,1-2H3,(H,29,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326144
![PNG](/data/jpeg/tenK5032/BindingDB_50326144.png) (CHEMBL1241824 | N,N-dimethyl-6-(2-(4-(2-methylquin...)Show SMILES CN(C)C(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H32N6O2/c1-20-10-11-22-23(31-20)7-5-8-24(22)34-16-14-33(15-17-34)13-12-21-6-4-9-25-28(21)37-18-26-27(29(36)32(2)3)30-19-35(25)26/h4-11,19H,12-18H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326147
![PNG](/data/jpeg/tenK5032/BindingDB_50326147.png) (CHEMBL1242345 | N-(cyclopropylmethyl)-6-(2-(4-(2-m...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NCC2CC2)CC1 Show InChI InChI=1S/C31H34N6O2/c1-21-8-11-24-25(34-21)5-3-6-26(24)36-16-14-35(15-17-36)13-12-23-4-2-7-27-30(23)39-19-28-29(33-20-37(27)28)31(38)32-18-22-9-10-22/h2-8,11,20,22H,9-10,12-19H2,1H3,(H,32,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326141
![PNG](/data/jpeg/tenK5032/BindingDB_50326141.png) (1-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...)Show SMILES Cc1nnc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n12 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-29-28-19(2)32(24)25/h3-10H,11-17H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326149
![PNG](/data/jpeg/tenK5032/BindingDB_50326149.png) ((6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)eth...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCCC2)CC1 Show InChI InChI=1S/C32H36N6O2/c1-23-11-12-25-26(34-23)8-6-9-27(25)36-19-17-35(18-20-36)16-13-24-7-5-10-28-31(24)40-21-29-30(33-22-38(28)29)32(39)37-14-3-2-4-15-37/h5-12,22H,2-4,13-21H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50326150
![PNG](/data/jpeg/tenK5032/BindingDB_50326150.png) ((6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)eth...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCOCC2)CC1 Show InChI InChI=1S/C31H34N6O3/c1-22-8-9-24-25(33-22)5-3-6-26(24)35-14-12-34(13-15-35)11-10-23-4-2-7-27-30(23)40-20-28-29(32-21-37(27)28)31(38)36-16-18-39-19-17-36/h2-9,21H,10-20H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins |
J Med Chem 53: 5827-43 (2010)
Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M |
More data for this Ligand-Target Pair | |