Found 2899 hits with Last Name = 'sheffler' and Initial = 'dj' 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 |
|---|
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
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MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM21130
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1 | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Biochemistry 44: 8643-51 (2005)
Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM21130
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1 | PDB
Reactome pathway
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| 23.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Biochemistry 44: 8643-51 (2005)
Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86548
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1 Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3 | PDB
Reactome pathway
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| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Biochemistry 44: 8643-51 (2005)
Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50583973
(CHEMBL5093114) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86548
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1 Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3 | PDB
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| 45.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Biochemistry 44: 8643-51 (2005)
Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50059345
(CHEMBL3393355 | US9156845, 83)Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20) | PDB
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| PDB
Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50059345
(CHEMBL3393355 | US9156845, 83)Show InChI InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20) | PDB
MMDB
Reactome pathway
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| PDB
Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM185556
(US9156845, 215)Show SMILES NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C17H17N5O2/c18-15(23)12-3-1-2-11(8-12)13-9-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2,(H2,18,23)(H,19,20,21) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM185556
(US9156845, 215)Show SMILES NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12 Show InChI InChI=1S/C17H17N5O2/c18-15(23)12-3-1-2-11(8-12)13-9-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8-10H,4-7H2,(H2,18,23)(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50583973
(CHEMBL5093114) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 211 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM224024
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
| Article
PubMed
| 343 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Biochemistry 44: 8643-51 (2005)
Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50263887
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30) | Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50424114
(CHEMBL2315675)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31) | Reactome pathway
KEGG
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Similars
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PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50424114
(CHEMBL2315675)Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31) | Reactome pathway
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PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem Lett 23: 223-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50447893
(CHEMBL3114792)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379404
(6-((4-(cyclopropylamino)-5-(trifluoromethyl)pyrimi...)Show SMILES FC(F)(F)c1cnc(Nc2ccc3C(=O)CCCc3c2)nc1NC1CC1 Show InChI InChI=1S/C18H17F3N4O/c19-18(20,21)14-9-22-17(25-16(14)23-11-4-5-11)24-12-6-7-13-10(8-12)2-1-3-15(13)26/h6-9,11H,1-5H2,(H2,22,23,24,25) | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50447910
(CHEMBL3114969)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)cc1Cl)CC1CC1 |r| Show InChI InChI=1S/C21H24Cl2N4O3S/c1-26-10-19(25-12-26)31(29,30)27-8-16-17(9-27)21(16,7-13-2-3-13)11-24-20(28)15-5-4-14(22)6-18(15)23/h4-6,10,12-13,16-17H,2-3,7-9,11H2,1H3,(H,24,28)/t16-,17+,21- | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379381
(N4-cyclopropyl-N2-(quinolin-6-yl)-5-(trifluorometh...)Show InChI InChI=1S/C17H14F3N5/c18-17(19,20)13-9-22-16(25-15(13)23-11-3-4-11)24-12-5-6-14-10(8-12)2-1-7-21-14/h1-2,5-9,11H,3-4H2,(H2,22,23,24,25) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379329
(N2-(1H-benzo[d]imidazol-6-yl)-N4-cyclopropyl-5-(tr...)Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)10-6-19-14(24-13(10)22-8-1-2-8)23-9-3-4-11-12(5-9)21-7-20-11/h3-8H,1-2H2,(H,20,21)(H2,19,22,23,24) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50447890
(CHEMBL3114971)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21- | PDB
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Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379305
(N2-(1H-benzo[d][1,2,3]triazol-6-yl)-N4-cyclopropyl...)Show InChI InChI=1S/C14H12F3N7/c15-14(16,17)9-6-18-13(21-12(9)19-7-1-2-7)20-8-3-4-10-11(5-8)23-24-22-10/h3-7H,1-2H2,(H,22,23,24)(H2,18,19,20,21) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379307
(N4-cyclopropyl-N2-(3,4-dihydro-2H-benzo[b][1,4]dio...)Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)12-9-21-16(24-15(12)22-10-2-3-10)23-11-4-5-13-14(8-11)26-7-1-6-25-13/h4-5,8-10H,1-3,6-7H2,(H2,21,22,23,24) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379414
(N-(4-((4-(cyclopropylamino)-5-(trifluoromethyl)pyr...)Show SMILES FC(F)(F)c1cnc(Nc2ccc(NC(=O)C3CC3)cc2)nc1NC1CC1 Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)14-9-22-17(26-15(14)23-11-3-4-11)25-13-7-5-12(6-8-13)24-16(27)10-1-2-10/h5-11H,1-4H2,(H,24,27)(H2,22,23,25,26) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379450
(US10266549, Example 349 | US10774092, Example 349)Show InChI InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379408
(N4-cyclopropyl-N2-(quinoxalin-6-yl)-5-(trifluorome...)Show InChI InChI=1S/C16H13F3N6/c17-16(18,19)11-8-22-15(25-14(11)23-9-1-2-9)24-10-3-4-12-13(7-10)21-6-5-20-12/h3-9H,1-2H2,(H2,22,23,24,25) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379259
(US10266549, Example 158a | US10774092, Example 158...)Show InChI InChI=1S/C16H15F3N4O2/c17-16(18,19)11-8-20-15(23-14(11)21-9-1-2-9)22-10-3-4-12-13(7-10)25-6-5-24-12/h3-4,7-9H,1-2,5-6H2,(H2,20,21,22,23) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379311
(N4-cyclopropyl-N2-(1H-indazol-5-yl)-5-(trifluorome...)Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)11-7-19-14(23-13(11)21-9-1-2-9)22-10-3-4-12-8(5-10)6-20-24-12/h3-7,9H,1-2H2,(H,20,24)(H2,19,21,22,23) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379352
(N4-cyclopropyl-N2-(5-methoxypyridin-3-yl)-5-(trifl...)Show InChI InChI=1S/C14H14F3N5O/c1-23-10-4-9(5-18-6-10)21-13-19-7-11(14(15,16)17)12(22-13)20-8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21,22) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50448013
(CHEMBL3115220)Show SMILES Cn1cc(nn1)S(=O)(=O)N1CC2CCC(NC(=O)c3ccc(Cl)cc3Cl)C2C1 Show InChI InChI=1S/C17H19Cl2N5O3S/c1-23-9-16(21-22-23)28(26,27)24-7-10-2-5-15(13(10)8-24)20-17(25)12-4-3-11(18)6-14(12)19/h3-4,6,9-10,13,15H,2,5,7-8H2,1H3,(H,20,25) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as [14C]-glycine transport |
Bioorg Med Chem Lett 24: 1062-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.011
BindingDB Entry DOI: 10.7270/Q2XD1350 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379387
(N4-cyclopropyl-N2-(quinolin-3-yl)-5-(trifluorometh...)Show InChI InChI=1S/C17H14F3N5/c18-17(19,20)13-9-22-16(25-15(13)23-11-5-6-11)24-12-7-10-3-1-2-4-14(10)21-8-12/h1-4,7-9,11H,5-6H2,(H2,22,23,24,25) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379264
(US10266549, Example 161a | US10774092, Example 161...)Show InChI InChI=1S/C16H15F3N6/c17-16(18,19)12-8-22-15(25-14(12)23-10-2-1-3-10)24-11-6-9-4-5-20-13(9)21-7-11/h4-8,10H,1-3H2,(H,20,21)(H2,22,23,24,25) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50395966
(CHEMBL2164905)Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at human muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 6923-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50395966
(CHEMBL2164905)Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at human muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 6923-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50447907
(CHEMBL3114788)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1Cl)CC1CC1 |r| Show InChI InChI=1S/C21H25ClN4O3S/c1-25-11-19(24-13-25)30(28,29)26-9-16-17(10-26)21(16,8-14-6-7-14)12-23-20(27)15-4-2-3-5-18(15)22/h2-5,11,13-14,16-17H,6-10,12H2,1H3,(H,23,27)/t16-,17+,21- | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379325
(US10266549, Example 208a | US10774092, Example 208...)Show InChI InChI=1S/C15H12F3N5O/c16-15(17,18)10-6-19-14(23-13(10)21-8-1-2-8)22-9-3-4-11-12(5-9)24-7-20-11/h3-8H,1-2H2,(H2,19,21,22,23) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379406
(US10266549, Example 304a | US10774092, Example 304...)Show InChI InChI=1S/C14H14F3N5/c15-14(16,17)11-7-19-13(22-12(11)20-9-5-6-9)21-10-3-1-8(18)2-4-10/h1-4,7,9H,5-6,18H2,(H2,19,20,21,22) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379332
(N2-(benzo[d][1,3]dioxol-5-yl)-N4-cyclopropyl-5-(tr...)Show InChI InChI=1S/C15H13F3N4O2/c16-15(17,18)10-6-19-14(22-13(10)20-8-1-2-8)21-9-3-4-11-12(5-9)24-7-23-11/h3-6,8H,1-2,7H2,(H2,19,20,21,22) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379323
(N4-cyclopropyl-N2-(1H-indol-5-yl)-5-(trifluorometh...)Show InChI InChI=1S/C16H14F3N5/c17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13/h3-8,10,20H,1-2H2,(H2,21,22,23,24) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50448014
(CHEMBL3115219)Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC2CCC(NC(=O)c3ccc(Cl)cc3Cl)C2C1 Show InChI InChI=1S/C18H20Cl2N4O3S/c1-23-9-17(21-10-23)28(26,27)24-7-11-2-5-16(14(11)8-24)22-18(25)13-4-3-12(19)6-15(13)20/h3-4,6,9-11,14,16H,2,5,7-8H2,1H3,(H,22,25) | PDB
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Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as [14C]-glycine transport |
Bioorg Med Chem Lett 24: 1062-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.011
BindingDB Entry DOI: 10.7270/Q2XD1350 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50391745
(CHEMBL472757)Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1 Show InChI InChI=1S/C19H26Cl2N2O3S/c1-2-27(25,26)23-9-7-19(8-10-23,12-14-3-4-14)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,24) | PDB
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Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50583984
(CHEMBL5089935)Show SMILES CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12 | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00804
BindingDB Entry DOI: 10.7270/Q2Q52TH8 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50447909
(CHEMBL3114970)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1 |r| Show InChI InChI=1S/C21H24Cl2N4O3S/c1-26-10-18(25-12-26)31(29,30)27-8-14-15(9-27)21(14,7-13-5-6-13)11-24-20(28)19-16(22)3-2-4-17(19)23/h2-4,10,12-15H,5-9,11H2,1H3,(H,24,28)/t14-,15+,21- | PDB
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Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379252
(US10266549, Example 152a | US10774092, Example 152...)Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)11-7-21-14(24-13(11)22-9-1-2-9)23-10-5-8-3-4-19-12(8)20-6-10/h3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50395965
(CHEMBL2164910)Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3 | UniProtKB/SwissProt
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Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at human muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 6923-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379413
(N-(cyclopropanecarbonyl)-N-(4-((4-(cyclopropylamin...)Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2)N(C(=O)C2CC2)C(=O)C2CC2)nc1NC1CC1 Show InChI InChI=1S/C22H22F3N5O2/c23-22(24,25)17-11-26-21(29-18(17)27-14-5-6-14)28-15-7-9-16(10-8-15)30(19(31)12-1-2-12)20(32)13-3-4-13/h7-14H,1-6H2,(H2,26,27,28,29) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ULK1
(Homo sapiens (Human)) | BDBM379445
(N4-cyclopropyl-N2-(4-ethyl-3,4-dihydro-2H-pyrido[3...)Show SMILES CCN1CCOc2cc(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cnc12 Show InChI InChI=1S/C17H19F3N6O/c1-2-26-5-6-27-13-7-11(8-21-15(13)26)24-16-22-9-12(17(18,19)20)14(25-16)23-10-3-4-10/h7-10H,2-6H2,1H3,(H2,22,23,24,25) | PDB
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TBA
| Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50447904
(CHEMBL3114791)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)cc1)CC1CC1 |r| Show InChI InChI=1S/C21H25ClN4O3S/c1-25-11-19(24-13-25)30(28,29)26-9-17-18(10-26)21(17,8-14-2-3-14)12-23-20(27)15-4-6-16(22)7-5-15/h4-7,11,13-14,17-18H,2-3,8-10,12H2,1H3,(H,23,27)/t17-,18+,21- | PDB
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Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013
BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50396000
(CHEMBL2164906)Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m1/s1 | UniProtKB/SwissProt
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Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Antagonist activity at human muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 6923-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4 |
More data for this
Ligand-Target Pair | |
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