Found 5304 hits with Last Name = 'lefker' and Initial = 'b' 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 |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120502
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5| Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120504
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25| Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314613
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314616
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314614
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r| Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314618
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314623
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120505
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 |t:25| Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50083974
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2| Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314624
((S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli...)Show SMILES Clc1cc(Cl)cc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r| Show InChI InChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50314613
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50314614
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r| Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50120503
(2-Amino-N-[(R)-2-(3a-benzyl-2-methyl-3-oxo-2,3,3a,...)Show SMILES CN1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:2| Show InChI InChI=1S/C28H33F2N5O4/c1-27(2,31)25(37)32-22(16-39-15-19-9-10-20(29)21(30)13-19)24(36)35-12-11-23-28(17-35,26(38)34(3)33-23)14-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-17,31H2,1-3H3,(H,32,37)/t22-,28?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ... |
Bioorg Med Chem Lett 12: 3279-82 (2002)
BindingDB Entry DOI: 10.7270/Q23F4NZZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314626
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50341309
(CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...)Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314625
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r| Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314615
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)| Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50341310
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50341310
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314617
((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...)Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r| Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314619
((2S,6R)-benzyl 2,6-dimethylpiperazine-1-carboxylat...)Show InChI InChI=1S/C14H20N2O2/c1-11-8-15-9-12(2)16(11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Rattus norvegicus) | BDBM50341310
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Rattus norvegicus) | BDBM50341310
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Rattus norvegicus) | BDBM50341309
(CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...)Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314620
((S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca...)Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)/t11-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314622
(3-(aminomethyl)-N-(4-(trifluoromethoxy)benzyl)benz...)Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)23-14-6-4-11(5-7-14)10-21-15(22)13-3-1-2-12(8-13)9-20/h1-8H,9-10,20H2,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 585 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50314621
(CHEMBL1090400 | N-(4-(trifluoromethoxy)benzyl)pyrr...)Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-3-1-9(2-4-11)7-18-12(19)10-5-6-17-8-10/h1-4,10,17H,5-8H2,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 643 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50341312
((1R,5R,8R)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...)Show SMILES CC(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@H]2Oc1ncnc(Oc2cccnc2C)c1C |r| Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50341311
((+/-)-isopropyl 8-(5-methyl-6-(2-methylpyridin-3-y...)Show SMILES CC(C)OC(=O)N1CC2COC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314614
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r| Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314626
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50341313
((1S,5S,8S)-Isopropyl 8-(5-Methyl-6-(2-methylpyridi...)Show SMILES CC(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@H]2Oc1ncnc(Oc2cccnc2C)c1C |r| Show InChI InChI=1S/C21H26N4O5/c1-12(2)28-21(26)25-8-15-10-27-17(9-25)18(15)30-20-13(3)19(23-11-24-20)29-16-6-5-7-22-14(16)4/h5-7,11-12,15,17-18H,8-10H2,1-4H3/t15-,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl... |
J Med Chem 54: 1948-52 (2011)
Article DOI: 10.1021/jm200003p BindingDB Entry DOI: 10.7270/Q2CZ37G0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314625
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r| Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314618
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314613
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 3.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314623
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314617
((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...)Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r| Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50314620
((S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca...)Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)/t11-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 2365-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.107 BindingDB Entry DOI: 10.7270/Q24M94QJ |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM25430
(4-(2-hydroxyphenyl)-2-(trifluoromethyl)benzonitril...)Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h1-7,19H | 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 | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50285792
(4-Oxo-piperidine-1-carboxylic acid {(S)-1-[(R)-1-(...)Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C33H52N4O6S/c1-22(2)18-29(39)30(40)26(19-23-10-6-4-7-11-23)34-32(42)28(21-44-3)35-31(41)27(20-24-12-8-5-9-13-24)36-33(43)37-16-14-25(38)15-17-37/h5,8-9,12-13,22-23,26-30,39-40H,4,6-7,10-11,14-21H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)/t26-,27-,28-,29-,30+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition against recombinant human renin (rHR) |
Bioorg Med Chem Lett 5: 2623-2626 (1995)
Article DOI: 10.1016/0960-894X(95)00456-4 BindingDB Entry DOI: 10.7270/Q2C24WDC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50146201
(6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...)Show SMILES Oc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells |
Bioorg Med Chem Lett 14: 2729-33 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PDB UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells |
Bioorg Med Chem Lett 15: 5562-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.010 BindingDB Entry DOI: 10.7270/Q2N879CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220383
(4'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)Show InChI InChI=1S/C15H10F3NO/c1-20-13-6-4-10(5-7-13)11-2-3-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50220379
(3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile |...)Show InChI InChI=1S/C15H7F6N/c16-14(17,18)12-4-2-1-3-11(12)9-5-6-10(8-22)13(7-9)15(19,20)21/h1-7H | 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 | >1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay |
Bioorg Med Chem Lett 17: 5529-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.034 BindingDB Entry DOI: 10.7270/Q2CR5T3S |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Rattus norvegicus) | BDBM50181274
(5-(3-((S)-2-((R)-4-(3-chlorophenyl)-3-hydroxybutyl...)Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(O)=O)Cc1cccc(Cl)c1 Show InChI InChI=1S/C22H26ClNO4S/c23-16-4-1-3-15(13-16)14-18(25)8-6-17-7-11-21(26)24(17)12-2-5-19-9-10-20(29-19)22(27)28/h1,3-4,9-10,13,17-18,25H,2,5-8,11-12,14H2,(H,27,28)/t17-,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to rat EP4 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 1799-802 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.018 BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50175419
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells |
Bioorg Med Chem Lett 15: 5562-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.010 BindingDB Entry DOI: 10.7270/Q2N879CK |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells |
Bioorg Med Chem Lett 15: 5562-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.010 BindingDB Entry DOI: 10.7270/Q2N879CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50146201
(6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...)Show SMILES Oc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells |
Bioorg Med Chem Lett 14: 2729-33 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19459
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells |
Bioorg Med Chem Lett 15: 5562-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.010 BindingDB Entry DOI: 10.7270/Q2N879CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |