Found 230 hits with Last Name = 'singh' and Initial = 'mp' 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 |
|---|
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240209
(CHEMBL4068526)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cn[nH]c3)c2)CC1 Show InChI InChI=1S/C31H31F3N6O2/c1-20-6-9-26(16-28(20)38-30(42)22-5-3-4-21(14-22)25-17-35-36-18-25)37-29(41)23-7-8-24(27(15-23)31(32,33)34)19-40-12-10-39(2)11-13-40/h3-9,14-18H,10-13,19H2,1-2H3,(H,35,36)(H,37,41)(H,38,42) | PDB
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| CHEMBL
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UniChem
| Article
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| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240227
(CHEMBL4084391)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240213
(CHEMBL4085366)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C24H19F3N6O2/c1-14-21(32-23(35)17-6-16(9-28-10-17)18-11-30-33(2)13-18)8-20(12-29-14)31-22(34)15-4-3-5-19(7-15)24(25,26)27/h3-13H,1-2H3,(H,31,34)(H,32,35) | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240224
(CHEMBL4095856)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cnn(C)c3)c2)CC1 Show InChI InChI=1S/C32H33F3N6O2/c1-21-7-10-27(17-29(21)38-31(43)23-6-4-5-22(15-23)26-18-36-40(3)19-26)37-30(42)24-8-9-25(28(16-24)32(33,34)35)20-41-13-11-39(2)12-14-41/h4-10,15-19H,11-14,20H2,1-3H3,(H,37,42)(H,38,43) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228080
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 | PDB
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Article
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by ... |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882
BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240216
(CHEMBL4074076)Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1NC(=O)c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C31H31F3N6O2/c1-20-6-9-26(16-28(20)38-30(42)22-5-3-4-21(14-22)25-17-36-39(2)18-25)37-29(41)23-7-8-24(27(15-23)31(32,33)34)19-40-12-10-35-11-13-40/h3-9,14-18,35H,10-13,19H2,1-2H3,(H,37,41)(H,38,42) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240226
(CHEMBL4065459)Show SMILES CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)ccn1 |r| Show InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m0/s1 | PDB
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Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luc... |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882
BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50169743
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at estrogen receptor beta ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luci... |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882
BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381517
(CHEMBL2017748)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCS1(=O)=O Show InChI InChI=1S/C27H28F3N5O4S/c1-18-23-17-20(32-25(36)10-5-19-3-7-22(8-4-19)39-27(28,29)30)6-9-24(23)33-26(31-18)34-14-11-21(12-15-34)35-13-2-16-40(35,37)38/h3-10,17,21H,2,11-16H2,1H3,(H,32,36)/b10-5+ | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240218
(CHEMBL4059858)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C33H32F3N5O2/c1-22-8-11-28(19-30(22)39-32(43)24-6-3-5-23(17-24)26-7-4-12-37-20-26)38-31(42)25-9-10-27(29(18-25)33(34,35)36)21-41-15-13-40(2)14-16-41/h3-12,17-20H,13-16,21H2,1-2H3,(H,38,42)(H,39,43) | PDB
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50169743
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at estrogen receptor alpha ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luc... |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882
BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50312006
(CHEMBL1076438 | Lecanindole D)Show SMILES C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C |r| Show InChI InChI=1S/C23H31NO2/c1-20(2)18(25)10-11-21(3)22(4)14(9-12-23(20,21)26)13-16-15-7-5-6-8-17(15)24-19(16)22/h5-8,14,18,24-26H,9-13H2,1-4H3/t14-,18+,21+,22+,23+/m0/s1 | PDB
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of progesterone from progesterone receptor in human T47D cells after 3 hrs |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882
BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381530
(CHEMBL2017761)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)NC(=O)CO Show InChI InChI=1S/C26H26F3N5O4/c1-16-21-14-19(32-23(36)9-4-17-2-6-20(7-3-17)38-26(27,28)29)5-8-22(21)33-25(30-16)34-12-10-18(11-13-34)31-24(37)15-35/h2-9,14,18,35H,10-13,15H2,1H3,(H,31,37)(H,32,36)/b9-4+ | Reactome pathway
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240227
(CHEMBL4084391)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35) | PDB
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Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240219
(CHEMBL4100838)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cncnc3)c2)CC1 Show InChI InChI=1S/C32H31F3N6O2/c1-21-6-9-27(16-29(21)39-31(43)23-5-3-4-22(14-23)26-17-36-20-37-18-26)38-30(42)24-7-8-25(28(15-24)32(33,34)35)19-41-12-10-40(2)11-13-41/h3-9,14-18,20H,10-13,19H2,1-2H3,(H,38,42)(H,39,43) | PDB
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Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381510
(CHEMBL2017741)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C28H30F3N5O3/c1-19-24-18-21(33-26(37)9-4-20-2-6-23(7-3-20)39-28(29,30)31)5-8-25(24)34-27(32-19)36-12-10-22(11-13-36)35-14-16-38-17-15-35/h2-9,18,22H,10-17H2,1H3,(H,33,37)/b9-4+ | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240204
(CHEMBL4081527)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cncnc4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H31F3N6O2/c1-21-6-7-24(15-29(21)39-31(43)23-5-3-4-22(14-23)26-17-36-20-37-18-26)30(42)38-27-9-8-25(28(16-27)32(33,34)35)19-41-12-10-40(2)11-13-41/h3-9,14-18,20H,10-13,19H2,1-2H3,(H,38,42)(H,39,43) | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201721
(CHEMBL3964073)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240217
(CHEMBL4063659)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C33H32F3N5O2/c1-22-6-9-28(20-30(22)39-32(43)25-5-3-4-24(18-25)23-10-12-37-13-11-23)38-31(42)26-7-8-27(29(19-26)33(34,35)36)21-41-16-14-40(2)15-17-41/h3-13,18-20H,14-17,21H2,1-2H3,(H,38,42)(H,39,43) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381513
(CHEMBL2017744)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O Show InChI InChI=1S/C28H28F3N5O3/c1-18-23-17-20(33-25(37)11-6-19-4-8-22(9-5-19)39-28(29,30)31)7-10-24(23)34-27(32-18)35-15-12-21(13-16-35)36-14-2-3-26(36)38/h4-11,17,21H,2-3,12-16H2,1H3,(H,33,37)/b11-6+ | Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201721
(CHEMBL3964073)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240211
(CHEMBL4104586)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3ccccn3)c2)CC1 Show InChI InChI=1S/C33H32F3N5O2/c1-22-9-12-27(20-30(22)39-32(43)24-7-5-6-23(18-24)29-8-3-4-13-37-29)38-31(42)25-10-11-26(28(19-25)33(34,35)36)21-41-16-14-40(2)15-17-41/h3-13,18-20H,14-17,21H2,1-2H3,(H,38,42)(H,39,43) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381513
(CHEMBL2017744)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O Show InChI InChI=1S/C28H28F3N5O3/c1-18-23-17-20(33-25(37)11-6-19-4-8-22(9-5-19)39-28(29,30)31)7-10-24(23)34-27(32-18)35-15-12-21(13-16-35)36-14-2-3-26(36)38/h4-11,17,21H,2-3,12-16H2,1H3,(H,33,37)/b11-6+ | Reactome pathway
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UniChem
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381510
(CHEMBL2017741)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C28H30F3N5O3/c1-19-24-18-21(33-26(37)9-4-20-2-6-23(7-3-20)39-28(29,30)31)5-8-25(24)34-27(32-19)36-12-10-22(11-13-36)35-14-16-38-17-15-35/h2-9,18,22H,10-17H2,1H3,(H,33,37)/b9-4+ | Reactome pathway
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381511
(CHEMBL2017742)Show SMILES Cc1nc(nc2ccc(NC(=O)C=Cc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1=O |w:13.13| Show InChI InChI=1S/C28H28F3N5O4/c1-18-23-16-20(33-25(37)9-4-19-2-6-22(7-3-19)40-28(29,30)31)5-8-24(23)34-27(32-18)35-12-10-21(11-13-35)36-14-15-39-17-26(36)38/h2-9,16,21H,10-15,17H2,1H3,(H,33,37) | Reactome pathway
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381527
(CHEMBL2017757)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C24H26ClN5O3S/c1-16-21-15-20(27-23(31)10-5-17-3-6-18(25)7-4-17)8-9-22(21)28-24(26-16)30-13-11-19(12-14-30)29-34(2,32)33/h3-10,15,19,29H,11-14H2,1-2H3,(H,27,31)/b10-5+ | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381531
(CHEMBL2017762)Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-20(33-24(36)10-5-18-3-7-21(8-4-18)39-27(28,29)30)6-9-23(22)34-26(31-17)35-13-11-19(12-14-35)32-25(37)16-38-2/h3-10,15,19H,11-14,16H2,1-2H3,(H,32,37)(H,33,36)/b10-5+ | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381512
(CHEMBL2017743)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCCC1=O Show InChI InChI=1S/C29H30F3N5O3/c1-19-24-18-21(34-26(38)12-7-20-5-9-23(10-6-20)40-29(30,31)32)8-11-25(24)35-28(33-19)36-16-13-22(14-17-36)37-15-3-2-4-27(37)39/h5-12,18,22H,2-4,13-17H2,1H3,(H,34,38)/b12-7+ | Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381509
(CHEMBL2017740)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C27H30ClN5O2/c1-19-24-18-22(30-26(34)9-4-20-2-5-21(28)6-3-20)7-8-25(24)31-27(29-19)33-12-10-23(11-13-33)32-14-16-35-17-15-32/h2-9,18,23H,10-17H2,1H3,(H,30,34)/b9-4+ | Reactome pathway
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381517
(CHEMBL2017748)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCS1(=O)=O Show InChI InChI=1S/C27H28F3N5O4S/c1-18-23-17-20(32-25(36)10-5-19-3-7-22(8-4-19)39-27(28,29)30)6-9-24(23)33-26(31-18)34-14-11-21(12-15-34)35-13-2-16-40(35,37)38/h3-10,17,21H,2,11-16H2,1H3,(H,32,36)/b10-5+ | Reactome pathway
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381485
(CHEMBL2017593)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1 Show InChI InChI=1S/C26H27ClN4O2/c1-17-22-16-21(29-24(32)11-4-18-2-7-20(27)8-3-18)9-10-23(22)30-25(28-17)31-14-12-26(33,13-15-31)19-5-6-19/h2-4,7-11,16,19,33H,5-6,12-15H2,1H3,(H,29,32)/b11-4+ | Reactome pathway
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240227
(CHEMBL4084391)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35) | PDB
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Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescen... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381509
(CHEMBL2017740)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C27H30ClN5O2/c1-19-24-18-22(30-26(34)9-4-20-2-5-21(28)6-3-20)7-8-25(24)31-27(29-19)33-12-10-23(11-13-33)32-14-16-35-17-15-32/h2-9,18,23H,10-17H2,1H3,(H,30,34)/b9-4+ | Reactome pathway
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Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381518
(CHEMBL2017751)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CC(C)(C)OC1=O Show InChI InChI=1S/C29H30F3N5O4/c1-18-23-16-20(34-25(38)11-6-19-4-8-22(9-5-19)40-29(30,31)32)7-10-24(23)35-26(33-18)36-14-12-21(13-15-36)37-17-28(2,3)41-27(37)39/h4-11,16,21H,12-15,17H2,1-3H3,(H,34,38)/b11-6+ | Reactome pathway
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Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381529
(CHEMBL2017760)Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1 Show InChI InChI=1S/C26H28ClN5O3/c1-17-22-15-21(30-24(33)10-5-18-3-6-19(27)7-4-18)8-9-23(22)31-26(28-17)32-13-11-20(12-14-32)29-25(34)16-35-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,29,34)(H,30,33)/b10-5+ | Reactome pathway
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Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240210
(CHEMBL4084299)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3nn[nH]n3)c2)CC1 Show InChI InChI=1S/C29H29F3N8O2/c1-18-6-9-23(16-25(18)34-28(42)20-5-3-4-19(14-20)26-35-37-38-36-26)33-27(41)21-7-8-22(24(15-21)29(30,31)32)17-40-12-10-39(2)11-13-40/h3-9,14-16H,10-13,17H2,1-2H3,(H,33,41)(H,34,42)(H,35,36,37,38) | PDB
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Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50240209
(CHEMBL4068526)Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NC(=O)c3cccc(c3)-c3cn[nH]c3)c2)CC1 Show InChI InChI=1S/C31H31F3N6O2/c1-20-6-9-26(16-28(20)38-30(42)22-5-3-4-21(14-22)25-17-35-36-18-25)37-29(41)23-7-8-24(27(15-23)31(32,33)34)19-40-12-10-39(2)11-13-40/h3-9,14-18H,10-13,19H2,1-2H3,(H,35,36)(H,37,41)(H,38,42) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographi... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240228
(CHEMBL4060882)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(c4)-c4cccnc4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C33H32F3N5O2/c1-22-8-9-25(18-30(22)39-32(43)24-6-3-5-23(17-24)26-7-4-12-37-20-26)31(42)38-28-11-10-27(29(19-28)33(34,35)36)21-41-15-13-40(2)14-16-41/h3-12,17-20H,13-16,21H2,1-2H3,(H,38,42)(H,39,43) | PDB
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Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381515
(CHEMBL2017746)Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCCC1=O Show InChI InChI=1S/C27H28ClN5O2/c1-18-23-17-21(30-25(34)11-6-19-4-7-20(28)8-5-19)9-10-24(23)31-27(29-18)32-15-12-22(13-16-32)33-14-2-3-26(33)35/h4-11,17,22H,2-3,12-16H2,1H3,(H,30,34)/b11-6+ | Reactome pathway
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Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381508
(CHEMBL2017618)Show SMILES Cc1nc(NCCCC(=O)NC2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12 Show InChI InChI=1S/C26H26F3N5O3/c1-16-21-15-19(33-24(36)13-6-17-4-10-20(11-5-17)37-26(27,28)29)9-12-22(21)34-25(31-16)30-14-2-3-23(35)32-18-7-8-18/h4-6,9-13,15,18H,2-3,7-8,14H2,1H3,(H,32,35)(H,33,36)(H,30,31,34)/b13-6+ | Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381520
(CHEMBL2017753)Show SMILES CN1CCN(C2CCN(CC2)c2nc(C)c3cc(NC(=O)\C=C\c4ccc(OC(F)(F)F)cc4)ccc3n2)C1=O Show InChI InChI=1S/C28H29F3N6O3/c1-18-23-17-20(33-25(38)10-5-19-3-7-22(8-4-19)40-28(29,30)31)6-9-24(23)34-26(32-18)36-13-11-21(12-14-36)37-16-15-35(2)27(37)39/h3-10,17,21H,11-16H2,1-2H3,(H,33,38)/b10-5+ | Reactome pathway
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381520
(CHEMBL2017753)Show SMILES CN1CCN(C2CCN(CC2)c2nc(C)c3cc(NC(=O)\C=C\c4ccc(OC(F)(F)F)cc4)ccc3n2)C1=O Show InChI InChI=1S/C28H29F3N6O3/c1-18-23-17-20(33-25(38)10-5-19-3-7-22(8-4-19)40-28(29,30)31)6-9-24(23)34-26(32-18)36-13-11-21(12-14-36)37-16-15-35(2)27(37)39/h3-10,17,21H,11-16H2,1-2H3,(H,33,38)/b10-5+ | Reactome pathway
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Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50456368
(CHEMBL4216036)Show SMILES Nc1nc2CCC(Cc2s1)n1nc(-c2cc(F)c3[nH]ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H17FN8S/c21-12-6-10(5-9-3-4-24-16(9)12)17-15-18(22)25-8-26-19(15)29(28-17)11-1-2-13-14(7-11)30-20(23)27-13/h3-6,8,11,24H,1-2,7H2,(H2,23,27)(H2,22,25,26) | PDB
MMDB
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Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381506
(CHEMBL2017616)Show SMILES Cc1nc(NCCNC(=O)C2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12 Show InChI InChI=1S/C25H24F3N5O3/c1-15-20-14-18(32-22(34)11-4-16-2-8-19(9-3-16)36-25(26,27)28)7-10-21(20)33-24(31-15)30-13-12-29-23(35)17-5-6-17/h2-4,7-11,14,17H,5-6,12-13H2,1H3,(H,29,35)(H,32,34)(H,30,31,33)/b11-4+ | Reactome pathway
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Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50240227
(CHEMBL4084391)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cncc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35) | PDB
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Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescen... |
Bioorg Med Chem Lett 27: 2153-2160 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.064
BindingDB Entry DOI: 10.7270/Q2SX6GC2 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381498
(CHEMBL2017606)Show SMILES CC(=O)CC1(O)CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1 Show InChI InChI=1S/C26H27ClN4O3/c1-17(32)16-26(34)11-13-31(14-12-26)25-28-18(2)22-15-21(8-9-23(22)30-25)29-24(33)10-5-19-3-6-20(27)7-4-19/h3-10,15,34H,11-14,16H2,1-2H3,(H,29,33)/b10-5+ | Reactome pathway
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM35909
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17) | PDB
MMDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferas... |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882
BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50381507
(CHEMBL2017617)Show SMILES Cc1nc(NCCCNC(=O)C2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12 Show InChI InChI=1S/C26H26F3N5O3/c1-16-21-15-19(33-23(35)12-5-17-3-9-20(10-4-17)37-26(27,28)29)8-11-22(21)34-25(32-16)31-14-2-13-30-24(36)18-6-7-18/h3-5,8-12,15,18H,2,6-7,13-14H2,1H3,(H,30,36)(H,33,35)(H,31,32,34)/b12-5+ | Reactome pathway
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Dr. Reddy's Laboratories Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated... |
Bioorg Med Chem Lett 22: 3163-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485 |
More data for this
Ligand-Target Pair | |
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