Found 3926 hits with Last Name = 'johnson' and Initial = 'c' 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 |
|---|
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043393
(2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...)Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)cnc2n1 Show InChI InChI=1S/C24H23N7O5/c25-20-16-9-12(11-28-21(16)31-24(26)30-20)10-27-17-6-5-15(13-3-1-2-4-14(13)17)22(34)29-18(23(35)36)7-8-19(32)33/h1-6,9,11,18,27H,7-8,10H2,(H,29,34)(H,32,33)(H,35,36)(H4,25,26,28,30,31) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.00365 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043396
(2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-na...)Show SMILES Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)cnc2n1 Show InChI InChI=1S/C23H22N8O5/c24-19-18-20(31-23(25)30-19)27-10-11(28-18)9-26-15-6-5-14(12-3-1-2-4-13(12)15)21(34)29-16(22(35)36)7-8-17(32)33/h1-6,10,16,26H,7-9H2,(H,29,34)(H,32,33)(H,35,36)(H4,24,25,27,30,31) | PDB
MMDB
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KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.00455 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043399
(2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C25H25N7O5/c1-32(12-13-10-17-21(26)30-25(27)31-22(17)28-11-13)19-8-6-16(14-4-2-3-5-15(14)19)23(35)29-18(24(36)37)7-9-20(33)34/h2-6,8,10-11,18H,7,9,12H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,26,27,28,30,31) | PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
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| 0.00465 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
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| MMDB
PDB
PubMed
| 0.00480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cells |
J Med Chem 35: 3002-6 (1992)
BindingDB Entry DOI: 10.7270/Q2MP527Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
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PDB
PubMed
| 0.00482 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043395
(2-({4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidi...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C26H27N7O5/c1-13-14(11-29-23-21(13)22(27)31-26(28)32-23)12-33(2)19-9-7-17(15-5-3-4-6-16(15)19)24(36)30-18(25(37)38)8-10-20(34)35/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,30,36)(H,34,35)(H,37,38)(H4,27,28,29,31,32) | PDB
MMDB
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PC cid
PC sid
UniChem
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| PubMed
| 0.00484 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043400
(2-({4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidi...)Show SMILES Cc1c(CNc2ccc(C(=O)NC(CCC(O)=O)C(O)=O)c3ccccc23)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C25H25N7O5/c1-12-13(11-29-22-20(12)21(26)31-25(27)32-22)10-28-17-7-6-16(14-4-2-3-5-15(14)17)23(35)30-18(24(36)37)8-9-19(33)34/h2-7,11,18,28H,8-10H2,1H3,(H,30,35)(H,33,34)(H,36,37)(H4,26,27,29,31,32) | PDB
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| 0.00508 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043398
(2-({4-[(2,4-Diamino-quinazolin-6-ylmethyl)-amino]-...)Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4ccccc34)ccc2n1 Show InChI InChI=1S/C25H24N6O5/c26-22-17-11-13(5-7-19(17)30-25(27)31-22)12-28-18-8-6-16(14-3-1-2-4-15(14)18)23(34)29-20(24(35)36)9-10-21(32)33/h1-8,11,20,28H,9-10,12H2,(H,29,34)(H,32,33)(H,35,36)(H4,26,27,30,31) | PDB
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| 0.00520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043394
(2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-am...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12 Show InChI InChI=1S/C24H24N8O5/c1-32(11-12-10-27-21-19(28-12)20(25)30-24(26)31-21)17-8-6-15(13-4-2-3-5-14(13)17)22(35)29-16(23(36)37)7-9-18(33)34/h2-6,8,10,16H,7,9,11H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31) | PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
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| 0.00522 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50043397
(2-({4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmet...)Show SMILES Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c4CCCCc34)cnc2n1 Show InChI InChI=1S/C24H27N7O5/c25-20-16-9-12(11-28-21(16)31-24(26)30-20)10-27-17-6-5-15(13-3-1-2-4-14(13)17)22(34)29-18(23(35)36)7-8-19(32)33/h5-6,9,11,18,27H,1-4,7-8,10H2,(H,29,34)(H,32,33)(H,35,36)(H4,25,26,28,30,31) | PDB
MMDB
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PC cid
PC sid
UniChem
| PubMed
| 0.0131 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of Dihydrofolate reductase in L1210 cells |
J Med Chem 36: 4161-71 (1994)
BindingDB Entry DOI: 10.7270/Q2BC3XNB |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| 0.0776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant rat OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50546794
(CHEMBL4777335)Show SMILES CC(C)(C)CC(=O)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N |r| | PDB
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| PC cid
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| Article
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01803
BindingDB Entry DOI: 10.7270/Q2KD22XQ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Mus musculus (Mouse)) | BDBM50004544
(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29) | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cells |
J Med Chem 35: 3002-6 (1992)
BindingDB Entry DOI: 10.7270/Q2MP527Z |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Rattus norvegicus (Rat)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| 0.117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant rat OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419142
(CHEMBL1830963)Show SMILES Fc1ccc(cc1)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H25FN2O2/c27-21-15-13-20(14-16-21)25(30)28-18-22-10-6-7-17-29(22)26(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H,28,30)/t22-/m0/s1 | PDB
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| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50419136
(CHEMBL1830961)Show SMILES Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2ccccc2-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C26H25F2NO2/c27-20-13-14-25(24(28)18-20)31-17-15-21-10-6-7-16-29(21)26(30)23-12-5-4-11-22(23)19-8-2-1-3-9-19/h1-5,8-9,11-14,18,21H,6-7,10,15-17H2/t21-/m0/s1 | PDB
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| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM19854
(CHEMBL426819 | CRA-013783/L-006235 | N-{1-[(cyanom...)Show SMILES CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31) | PDB
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Glutamine synthetase
(Homo sapiens (Human)) | BDBM85288
(Phosphinothricin analog, 1 (L Isomer))Show InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/p-1 | PDB
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| | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Chevron Chemical Company
| Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system. |
Bioorg Chem 18: 154-9 (1990)
BindingDB Entry DOI: 10.7270/Q24J0CNF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21864
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes |
J Med Chem 41: 2872-81 (1998)
Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM50410611
(CHEMBL414669)Show SMILES CN(N1CCN(C)CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C25H33N7O2S/c1-30-14-16-32(17-15-30)31(2)24-28-21(18-35-24)19-6-8-20(9-7-19)22(33)29-25(10-4-3-5-11-25)23(34)27-13-12-26/h6-9,18H,3-5,10-11,13-17H2,1-2H3,(H,27,34)(H,29,33) | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50419142
(CHEMBL1830963)Show SMILES Fc1ccc(cc1)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H25FN2O2/c27-21-15-13-20(14-16-21)25(30)28-18-22-10-6-7-17-29(22)26(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H,28,30)/t22-/m0/s1 | PDB
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475465
(CHEMBL196410)Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H18ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-7,10,13,20H,8-9,11-12H2 | PDB
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21864
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from Opioid receptor delta 1 of rat brain membranes (DAMGO quenching mu receptor) |
J Med Chem 41: 2872-81 (1998)
Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM50410588
(CHEMBL200708)Show SMILES CC(C)(C)N1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C27H36N6O2S/c1-26(2,3)33-17-15-32(16-18-33)25-30-22(19-36-25)20-7-9-21(10-8-20)23(34)31-27(11-5-4-6-12-27)24(35)29-14-13-28/h7-10,19H,4-6,11-12,14-18H2,1-3H3,(H,29,35)(H,31,34) | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475480
(CHEMBL193629)Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(ccc(Cl)c12)N1CCNCC1 Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(5-4-16(20)18(15)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2 | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475467
(CHEMBL425015)Show SMILES Clc1cccc(c1)S(=O)(=O)c1c[nH]c2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H18ClN3O2S/c19-13-3-1-4-14(11-13)25(23,24)17-12-21-18-15(17)5-2-6-16(18)22-9-7-20-8-10-22/h1-6,11-12,20-21H,7-10H2 | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50174269
(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2 | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475462
(CHEMBL371375)Show SMILES Clc1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-3-1-4-14(11-13)26(24,25)23-12-15(20)18-16(5-2-6-17(18)23)22-9-7-21-8-10-22/h1-6,11-12,21H,7-10H2 | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412114
(CHEMBL183460 | SB-649915)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30) | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3 |
Bioorg Med Chem Lett 15: 737-41 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI: 10.7270/Q2RR220M |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50417257
(SB-649868)Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1 | PDB
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| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicine Research Centre
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay |
Bioorg Med Chem Lett 21: 5562-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.086
BindingDB Entry DOI: 10.7270/Q29K4CGM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475475
(CHEMBL372513)Show InChI InChI=1S/C18H18ClN3O2S/c19-15-4-1-2-7-18(15)25(23,24)22-11-8-14-16(5-3-6-17(14)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2 | PDB
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| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475477
(CHEMBL372929)Show SMILES Cc1cc2c(cccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1 Show InChI InChI=1S/C19H20ClN3O2S/c1-14-12-17-18(22-10-8-21-9-11-22)6-3-7-19(17)23(14)26(24,25)16-5-2-4-15(20)13-16/h2-7,12-13,21H,8-11H2,1H3 | PDB
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| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM50410609
(CHEMBL198798)Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C29H38N6O2S/c30-15-16-31-27(37)29(13-3-1-4-14-29)33-26(36)23-9-7-22(8-10-23)25-21-38-28(32-25)35-19-11-24(12-20-35)34-17-5-2-6-18-34/h7-10,21,24H,1-6,11-14,16-20H2,(H,31,37)(H,33,36) | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50065862
(22-cyclopropylmethyl-9-phenyl-14-oxa-11,22-diazahe...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(cccc2c1C[C@@]35O)-c1ccccc1 Show InChI InChI=1S/C32H30N2O3/c35-24-12-11-20-15-25-32(36)16-23-22-8-4-7-21(19-5-2-1-3-6-19)27(22)33-28(23)30-31(32,26(20)29(24)37-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes |
J Med Chem 41: 2872-81 (1998)
Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM50410590
(CHEMBL200543)Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCN(CC1)C1CCOCC1 Show InChI InChI=1S/C28H36N6O3S/c29-12-13-30-26(36)28(10-2-1-3-11-28)32-25(35)22-6-4-21(5-7-22)24-20-38-27(31-24)34-16-14-33(15-17-34)23-8-18-37-19-9-23/h4-7,20,23H,1-3,8-11,13-19H2,(H,30,36)(H,32,35) | PDB
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| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Glutamine synthetase
(Homo sapiens (Human)) | BDBM85291
(Phosphinothricin analog, 4 (D,L Isomer))Show SMILES CP(O)([O-])C1=C[C@]([NH3+])(CC1)C([O-])=O |r,t:4| Show InChI InChI=1S/C7H13NO4P/c1-13(11,12)5-2-3-7(8,4-5)6(9)10/h4,11,13H,2-3,8H2,1H3,(H,9,10)/q-1/t7-/m1/s1 | PDB
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| | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Chevron Chemical Company
| Assay Description
The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system. |
Bioorg Chem 18: 154-9 (1990)
BindingDB Entry DOI: 10.7270/Q24J0CNF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM50410587
(CHEMBL200602)Show SMILES COCCN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C26H34N6O3S/c1-35-18-17-31-13-15-32(16-14-31)25-29-22(19-36-25)20-5-7-21(8-6-20)23(33)30-26(9-3-2-4-10-26)24(34)28-12-11-27/h5-8,19H,2-4,9-10,12-18H2,1H3,(H,28,34)(H,30,33) | PDB
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| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM19854
(CHEMBL426819 | CRA-013783/L-006235 | N-{1-[(cyanom...)Show SMILES CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31) | PDB
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PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50197525
(CHEMBL3948388)Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI InChI=1S/C29H23ClN4O5/c30-20-7-9-22-18(12-20)11-19(28(38)33-22)15-31-29(39)24(10-16-4-2-1-3-5-16)34-27(37)17-6-8-23-21(13-17)25(35)14-26(36)32-23/h1-9,11-14,24H,10,15H2,(H,31,39)(H,33,38)(H,34,37)(H2,32,35,36)/t24-/m0/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA.HCl substrate |
J Med Chem 60: 89-99 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01123
BindingDB Entry DOI: 10.7270/Q2R78H5B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50044607
(CHEMBL372537)Show InChI InChI=1S/C18H18N2O2S2/c21-24(22,14-5-2-1-3-6-14)17-13-23-18-15(17)7-4-8-16(18)20-11-9-19-10-12-20/h1-8,13,19H,9-12H2 | PDB
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| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475463
(CHEMBL194915)Show InChI InChI=1S/C17H17ClN4O2S/c18-14-4-5-15-13(17(14)21-11-8-19-9-12-21)6-10-22(15)25(23,24)16-3-1-2-7-20-16/h1-7,10,19H,8-9,11-12H2 | PDB
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| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50217138
(CHEMBL90433)Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2nc(N)sc2C1 Show InChI InChI=1S/C27H34N4OS/c1-2-17-31(23-14-15-24-25(19-23)33-27(28)30-24)18-7-6-16-29-26(32)22-12-10-21(11-13-22)20-8-4-3-5-9-20/h3-5,8-13,23H,2,6-7,14-19H2,1H3,(H2,28,30)(H,29,32) | PDB
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UniChem
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| PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells |
Bioorg Med Chem Lett 9: 2715-20 (1999)
BindingDB Entry DOI: 10.7270/Q23X88TZ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM50410607
(CHEMBL200744)Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(OC2CCNCC2)n1 Show InChI InChI=1S/C24H29N5O3S/c25-12-15-27-22(31)24(10-2-1-3-11-24)29-21(30)18-6-4-17(5-7-18)20-16-33-23(28-20)32-19-8-13-26-14-9-19/h4-7,16,19,26H,1-3,8-11,13-15H2,(H,27,31)(H,29,30) | PDB
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| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Oryctolagus cuniculus (rabbit)) | BDBM50410571
(CHEMBL200287)Show SMILES CC(C)NC1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C27H36N6O2S/c1-19(2)30-22-10-16-33(17-11-22)26-31-23(18-36-26)20-6-8-21(9-7-20)24(34)32-27(12-4-3-5-13-27)25(35)29-15-14-28/h6-9,18-19,22,30H,3-5,10-13,15-17H2,1-2H3,(H,29,35)(H,32,34) | PDB
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| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
J Med Chem 48: 7520-34 (2005)
Article DOI: 10.1021/jm058198r
BindingDB Entry DOI: 10.7270/Q23T9GSB |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50065854
(22-cyclopropylmethyl-9-phenoxy-14-oxa-11,22-diazah...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2c(Oc4ccccc4)cccc2c1C[C@@]35O Show InChI InChI=1S/C32H30N2O4/c35-23-12-11-19-15-25-32(36)16-22-21-7-4-8-24(37-20-5-2-1-3-6-20)27(21)33-28(22)30-31(32,26(19)29(23)38-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1 | PDB
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| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes |
J Med Chem 41: 2872-81 (1998)
Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50475473
(CHEMBL194039)Show SMILES Cc1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClN3O2S/c1-14-13-23(26(24,25)16-5-2-4-15(20)12-16)18-7-3-6-17(19(14)18)22-10-8-21-9-11-22/h2-7,12-13,21H,8-11H2,1H3 | PDB
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 15: 4867-71 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.107
BindingDB Entry DOI: 10.7270/Q2028V9Q |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50027185
(CHEMBL183921)Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 | PDB
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells |
Bioorg Med Chem Lett 15: 737-41 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI: 10.7270/Q2RR220M |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50027185
(CHEMBL183921)Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 | PDB
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells |
Bioorg Med Chem Lett 15: 737-41 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI: 10.7270/Q2RR220M |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50027185
(CHEMBL183921)Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12 | PDB
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells |
Bioorg Med Chem Lett 15: 737-41 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI: 10.7270/Q2RR220M |
More data for this
Ligand-Target Pair | |
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