Found 13 hits with Last Name = 'buchheit' and Initial = 'kh' 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 |
|---|
5-hydroxytryptamine receptor 2A
(BOVINE) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Limited
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity at 5- HT2 receptor |
J Med Chem 38: 2326-30 (1995)
BindingDB Entry DOI: 10.7270/Q2W959VM |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Limited
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity at Alpha adrenergic receptor |
J Med Chem 38: 2326-30 (1995)
BindingDB Entry DOI: 10.7270/Q2W959VM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50031474
((2E)-2-[(5-hydroxy-1H-indol-3-yl)methylene]hydrazi...)Show InChI InChI=1S/C10H11N5O/c11-10(12)15-14-5-6-4-13-9-2-1-7(16)3-8(6)9/h1-5,13,16H,(H4,11,12,15) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Limited
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity at 5- HT1A receptor |
J Med Chem 38: 2326-30 (1995)
BindingDB Entry DOI: 10.7270/Q2W959VM |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | BDBM48320
(4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...)Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Limited
Curated by ChEMBL
| Assay Description
Compound was evaluated for the binding affinity at Dopamine receptor D2 |
J Med Chem 38: 2326-30 (1995)
BindingDB Entry DOI: 10.7270/Q2W959VM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine 1D receptor
(Bos taurus (Bovine)) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Pharma Ltd.
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 345: 387-93 (1992)
Article DOI: 10.1007/bf00176615
BindingDB Entry DOI: 10.7270/Q2M043WM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(PIG) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Pharma Ltd.
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 345: 387-93 (1992)
Article DOI: 10.1007/bf00176615
BindingDB Entry DOI: 10.7270/Q2M043WM |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Pharma Ltd.
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 345: 387-93 (1992)
Article DOI: 10.1007/bf00176615
BindingDB Entry DOI: 10.7270/Q2M043WM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Pharma Ltd.
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 345: 387-93 (1992)
Article DOI: 10.1007/bf00176615
BindingDB Entry DOI: 10.7270/Q2M043WM |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(BOVINE) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Pharma Ltd.
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 345: 387-93 (1992)
Article DOI: 10.1007/bf00176615
BindingDB Entry DOI: 10.7270/Q2M043WM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50056401
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Pharma Ltd.
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 345: 387-93 (1992)
Article DOI: 10.1007/bf00176615
BindingDB Entry DOI: 10.7270/Q2M043WM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50030448
(8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 ...)Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45| Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research and Novartis Pharma Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against macrophilin (FKBP-12) |
J Med Chem 47: 4950-7 (2004)
Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50153090
(CHEMBL411735 | Macrolide derivative)Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(=O)OC)cc1 |t:40| Show InChI InChI=1S/C58H88N2O13/c1-11-15-42-27-35(2)26-36(3)28-50(70-8)45-34-58(68,38(5)30-51(45)71-9)55(65)56(66)60-25-13-12-17-46(60)57(67)73-54(39(6)47(61)33-48(42)62)37(4)29-41-19-22-43(49(31-41)69-7)32-52(63)59-44-23-20-40(21-24-44)16-14-18-53(64)72-10/h11,20-21,23-24,27,36-39,41-43,45-47,49-51,54,61,68H,1,12-19,22,25-26,28-34H2,2-10H3,(H,59,63)/b35-27+/t36-,37?,38+,39+,41-,42+,43-,45?,46?,47-,49?,50-,51-,54+,58-/m0/s1 | 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 | 1.45 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research and Novartis Pharma Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against macrophilin (FKBP-12) |
J Med Chem 47: 4950-7 (2004)
Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50153091
(CHEMBL265123 | Macrolide derivative)Show SMILES COC1C[C@H](CC(C)[C@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@]3(O)CC([C@H](C[C@H]3C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)CC[C@H]1CC(=O)Nc1ccc(CCCC(O)=O)cc1 |t:40| Show InChI InChI=1S/C57H86N2O13/c1-10-14-41-26-34(2)25-35(3)27-49(70-8)44-33-57(68,37(5)29-50(44)71-9)54(65)55(66)59-24-12-11-16-45(59)56(67)72-53(38(6)46(60)32-47(41)61)36(4)28-40-18-21-42(48(30-40)69-7)31-51(62)58-43-22-19-39(20-23-43)15-13-17-52(63)64/h10,19-20,22-23,26,35-38,40-42,44-46,48-50,53,60,68H,1,11-18,21,24-25,27-33H2,2-9H3,(H,58,62)(H,63,64)/b34-26+/t35-,36?,37+,38+,40-,41+,42-,44?,45?,46-,48?,49-,50-,53+,57-/m0/s1 | 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 | 1.88 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research and Novartis Pharma Development
Curated by ChEMBL
| Assay Description
Inhibitory activity against macrophilin (FKBP-12) |
J Med Chem 47: 4950-7 (2004)
Article DOI: 10.1021/jm031101l
BindingDB Entry DOI: 10.7270/Q21N81WK |
More data for this
Ligand-Target Pair | |
Search and Browse
