Found 47 hits of Enzyme Inhibition Constant Data 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 |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | Reactome pathway
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331161
(4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-i...)Show SMILES O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1 Show InChI InChI=1S/C25H26N4O2/c30-25-17-23(31-19-20-6-2-1-3-7-20)10-13-28(25)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h1-3,6-10,13,16-18H,4-5,11-12,14-15,19H2 | Reactome pathway
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PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331172
(4-(2-chloro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1...)Show SMILES COc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H25ClN4O2/c1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3 | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331174
(4-(2-methyl-4-(trifluoromethoxy)phenyl)-1-(1-(2-(p...)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C26H25F3N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3 | Reactome pathway
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | Reactome pathway
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331171
(4-(2-chloro-4-(trifluoromethyl)phenyl)-1-(1-(2-(py...)Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H22ClF3N4O/c26-22-15-19(25(27,28)29)3-5-21(22)17-7-10-32(24(34)14-17)20-4-6-23-18(13-20)16-30-33(23)12-11-31-8-1-2-9-31/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331178
(4-(naphthalen-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl...)Show SMILES O=c1cc(ccn1-c1ccc2n(CCN3CCCC3)ncc2c1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C28H26N4O/c33-28-19-24(23-8-7-21-5-1-2-6-22(21)17-23)11-14-31(28)26-9-10-27-25(18-26)20-29-32(27)16-15-30-12-3-4-13-30/h1-2,5-11,14,17-20H,3-4,12-13,15-16H2 | Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331180
(4-(1-methyl-1H-indol-2-yl)-1-(1-(2-(pyrrolidin-1-y...)Show SMILES Cn1c(cc2ccccc12)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C27H27N5O/c1-29-24-7-3-2-6-20(24)17-26(29)21-10-13-31(27(33)18-21)23-8-9-25-22(16-23)19-28-32(25)15-14-30-11-4-5-12-30/h2-3,6-10,13,16-19H,4-5,11-12,14-15H2,1H3 | Reactome pathway
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331167
(4-(4-chlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)...)Show SMILES Clc1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H23ClN4O/c25-21-5-3-18(4-6-21)19-9-12-28(24(30)16-19)22-7-8-23-20(15-22)17-26-29(23)14-13-27-10-1-2-11-27/h3-9,12,15-17H,1-2,10-11,13-14H2 | Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331176
(4-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(1-(2-(py...)Show SMILES Fc1cc(ccc1-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1)C(F)(F)F Show InChI InChI=1S/C25H22F4N4O/c26-22-15-19(25(27,28)29)3-5-21(22)17-7-10-32(24(34)14-17)20-4-6-23-18(13-20)16-30-33(23)12-11-31-8-1-2-9-31/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331173
(4-(4-chloro-2-methoxyphenyl)-1-(1-(2-(pyrrolidin-1...)Show SMILES COc1cc(Cl)ccc1-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H25ClN4O2/c1-32-24-16-20(26)4-6-22(24)18-8-11-29(25(31)15-18)21-5-7-23-19(14-21)17-27-30(23)13-12-28-9-2-3-10-28/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3 | Reactome pathway
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331169
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)34-22-6-3-18(4-7-22)19-9-12-31(24(33)16-19)21-5-8-23-20(15-21)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | Reactome pathway
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331165
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES Cc1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H26N4O/c1-19-4-6-20(7-5-19)21-10-13-28(25(30)17-21)23-8-9-24-22(16-23)18-26-29(24)15-14-27-11-2-3-12-27/h4-10,13,16-18H,2-3,11-12,14-15H2,1H3 | Reactome pathway
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331179
(4-(benzo[b]thiophen-2-yl)-1-(1-(2-(pyrrolidin-1-yl...)Show SMILES O=c1cc(ccn1-c1ccc2n(CCN3CCCC3)ncc2c1)-c1cc2ccccc2s1 Show InChI InChI=1S/C26H24N4OS/c31-26-17-20(25-16-19-5-1-2-6-24(19)32-25)9-12-29(26)22-7-8-23-21(15-22)18-27-30(23)14-13-28-10-3-4-11-28/h1-2,5-9,12,15-18H,3-4,10-11,13-14H2 | Reactome pathway
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331181
(4-(1-methyl-1H-indol-5-yl)-1-(1-(2-(pyrrolidin-1-y...)Show SMILES Cn1ccc2cc(ccc12)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C27H27N5O/c1-29-12-8-22-16-20(4-6-25(22)29)21-9-13-31(27(33)18-21)24-5-7-26-23(17-24)19-28-32(26)15-14-30-10-2-3-11-30/h4-9,12-13,16-19H,2-3,10-11,14-15H2,1H3 | Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331177
(4-(4-chloro-2-fluorophenyl)-1-(1-(2-(pyrrolidin-1-...)Show SMILES Fc1cc(Cl)ccc1-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22ClFN4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
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| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331175
(4-(2-fluoro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1...)Show SMILES COc1ccc(c(F)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H25FN4O2/c1-32-21-5-6-22(23(26)16-21)18-8-11-29(25(31)15-18)20-4-7-24-19(14-20)17-27-30(24)13-12-28-9-2-3-10-28/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3 | Reactome pathway
KEGG
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PC sid
UniChem
Patents
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| Article
PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331182
(4-(5-chloropyridin-2-yl)-1-(1-(2-(pyrrolidin-1-yl)...)Show SMILES Clc1ccc(nc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C23H22ClN5O/c24-19-3-5-21(25-16-19)17-7-10-28(23(30)14-17)20-4-6-22-18(13-20)15-26-29(22)12-11-27-8-1-2-9-27/h3-7,10,13-16H,1-2,8-9,11-12H2 | Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 272 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331166
(4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)...)Show SMILES Fc1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H23FN4O/c25-21-5-3-18(4-6-21)19-9-12-28(24(30)16-19)22-7-8-23-20(15-22)17-26-29(23)14-13-27-10-1-2-11-27/h3-9,12,15-17H,1-2,10-11,13-14H2 | Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331163
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES Cc1ccccc1-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H26N4O/c1-19-6-2-3-7-23(19)20-10-13-28(25(30)17-20)22-8-9-24-21(16-22)18-26-29(24)15-14-27-11-4-5-12-27/h2-3,6-10,13,16-18H,4-5,11-12,14-15H2,1H3 | Reactome pathway
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| Article
PubMed
| 539 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331162
(4-phenyl-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazo...)Show SMILES O=c1cc(ccn1-c1ccc2n(CCN3CCCC3)ncc2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O/c29-24-17-20(19-6-2-1-3-7-19)10-13-27(24)22-8-9-23-21(16-22)18-25-28(23)15-14-26-11-4-5-12-26/h1-3,6-10,13,16-18H,4-5,11-12,14-15H2 | Reactome pathway
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50331164
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES Cc1cccc(c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H26N4O/c1-19-5-4-6-20(15-19)21-9-12-28(25(30)17-21)23-7-8-24-22(16-23)18-26-29(24)14-13-27-10-2-3-11-27/h4-9,12,15-18H,2-3,10-11,13-14H2,1H3 | Reactome pathway
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Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | PDB
MMDB
Reactome pathway
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MCE
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | PDB
MMDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | PDB
MMDB
Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | PDB
MMDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | PDB
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50331170
(4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)et...)Show SMILES Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C24H22Cl2N4O/c25-19-3-5-21(22(26)15-19)17-7-10-29(24(31)14-17)20-4-6-23-18(13-20)16-27-30(23)12-11-28-8-1-2-9-28/h3-7,10,13-16H,1-2,8-9,11-12H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/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+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50184924
(1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...)Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N5O/c1-36-13-15-37(16-14-36)11-2-12-38(27(39)35-22-7-8-25(30)23(17-22)29(31,32)33)26-9-10-28(18-24(26)28)21-5-3-20(19-34)4-6-21/h3-8,17,24,26H,2,9-16,18H2,1H3,(H,35,39)/t24-,26-,28-/m1/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+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50331168
(1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1 Show InChI InChI=1S/C25H23F3N4O/c26-25(27,28)21-5-3-18(4-6-21)19-9-12-31(24(33)16-19)22-7-8-23-20(15-22)17-29-32(23)14-13-30-10-1-2-11-30/h3-9,12,15-17H,1-2,10-11,13-14H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 |
Bioorg Med Chem Lett 20: 7020-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.037
BindingDB Entry DOI: 10.7270/Q2639PZR |
More data for this
Ligand-Target Pair | |
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