new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'morgan' and Initial = 'ba'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286344
PNG
(5-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C24H34N4O6/c1-15(2)11-16(13-21(29)28-34)23(32)27-20(24(33)25-10-6-5-9-22(30)31)12-17-14-26-19-8-4-3-7-18(17)19/h3-4,7-8,14-16,20,26,34H,5-6,9-13H2,1-2H3,(H,25,33)(H,27,32)(H,28,29)(H,30,31)/t16-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286335
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...)
Show SMILES CSCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C23H34N4O4S/c1-15(2)11-16(13-21(28)27-31)22(29)26-20(23(30)24-9-6-10-32-3)12-17-14-25-19-8-5-4-7-18(17)19/h4-5,7-8,14-16,20,25,31H,6,9-13H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)/t16-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286337
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(C)=O
Show InChI InChI=1S/C22H32N4O5S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-32(3)31)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+,32?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286340
PNG
((R)-N*1*-[(S)-1-(4-Benzyloxy-butylcarbamoyl)-2-(1H...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOCc1ccccc1
Show InChI InChI=1S/C30H40N4O5/c1-21(2)16-23(18-28(35)34-38)29(36)33-27(17-24-19-32-26-13-7-6-12-25(24)26)30(37)31-14-8-9-15-39-20-22-10-4-3-5-11-22/h3-7,10-13,19,21,23,27,32,38H,8-9,14-18,20H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t23-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286334
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[5-...)
Show SMILES COc1ccc(cc1)C(=O)CCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C31H40N4O6/c1-20(2)16-22(18-29(37)35-40)30(38)34-27(17-23-19-33-26-9-5-4-8-25(23)26)31(39)32-15-7-6-10-28(36)21-11-13-24(41-3)14-12-21/h4-5,8-9,11-14,19-20,22,27,33,40H,6-7,10,15-18H2,1-3H3,(H,32,39)(H,34,38)(H,35,37)/t22-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50065451
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38-,45+,47+,48+,49-,50+,52+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286349
PNG
((R)-N*1*-[(S)-1-(3-Dimethylamino-propylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN(C)C
Show InChI InChI=1S/C24H37N5O4/c1-16(2)12-17(14-22(30)28-33)23(31)27-21(24(32)25-10-7-11-29(3)4)13-18-15-26-20-9-6-5-8-19(18)20/h5-6,8-9,15-17,21,26,33H,7,10-14H2,1-4H3,(H,25,32)(H,27,31)(H,28,30)/t17-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286345
PNG
((R)-N*1*-[(S)-1-(4-Dimethylamino-butylcarbamoyl)-2...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCN(C)C
Show InChI InChI=1S/C25H39N5O4/c1-17(2)13-18(15-23(31)29-34)24(32)28-22(25(33)26-11-7-8-12-30(3)4)14-19-16-27-21-10-6-5-9-20(19)21/h5-6,9-10,16-18,22,27,34H,7-8,11-15H2,1-4H3,(H,26,33)(H,28,32)(H,29,31)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286350
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(C)(=O)=O
Show InChI InChI=1S/C22H32N4O6S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-33(3,31)32)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286347
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSc1ccccc1
Show InChI InChI=1S/C27H34N4O4S/c1-18(2)14-19(16-25(32)31-35)26(33)30-24(15-20-17-29-23-11-7-6-10-22(20)23)27(34)28-12-13-36-21-8-4-3-5-9-21/h3-11,17-19,24,29,35H,12-16H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t19-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286339
PNG
((R)-N*1*-[(S)-1-(2-Ethylsulfanyl-ethylcarbamoyl)-2...)
Show SMILES CCSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C23H34N4O4S/c1-4-32-10-9-24-23(30)20(12-17-14-25-19-8-6-5-7-18(17)19)26-22(29)16(11-15(2)3)13-21(28)27-31/h5-8,14-16,20,25,31H,4,9-13H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)/t16-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286346
PNG
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSCCN1CCOCC1
Show InChI InChI=1S/C27H41N5O5S/c1-19(2)15-20(17-25(33)31-36)26(34)30-24(16-21-18-29-23-6-4-3-5-22(21)23)27(35)28-7-13-38-14-10-32-8-11-37-12-9-32/h3-6,18-20,24,29,36H,7-17H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t20-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286343
PNG
((R)-N*1*-[(S)-1-(4-Dimethylaminomethyl-benzylcarba...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(CN(C)C)cc1
Show InChI InChI=1S/C29H39N5O4/c1-19(2)13-22(15-27(35)33-38)28(36)32-26(14-23-17-30-25-8-6-5-7-24(23)25)29(37)31-16-20-9-11-21(12-10-20)18-34(3)4/h5-12,17,19,22,26,30,38H,13-16,18H2,1-4H3,(H,31,37)(H,32,36)(H,33,35)/t22-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286336
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES COCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H32N4O5/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-31-3)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286342
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H32N4O4S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-31-3)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286348
PNG
((R)-N*1*-[(S)-1-[2-(2-Dimethylamino-ethylsulfanyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSCCN(C)C
Show InChI InChI=1S/C25H39N5O4S/c1-17(2)13-18(15-23(31)29-34)24(32)28-22(25(33)26-9-11-35-12-10-30(3)4)14-19-16-27-21-8-6-5-7-20(19)21/h5-8,16-18,22,27,34H,9-15H2,1-4H3,(H,26,33)(H,28,32)(H,29,31)/t18-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50065453
PNG
((5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-d...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.10n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286338
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(N)(=O)=O
Show InChI InChI=1S/C21H31N5O6S/c1-13(2)9-14(11-19(27)26-30)20(28)25-18(21(29)23-7-8-33(22,31)32)10-15-12-24-17-6-4-3-5-16(15)17/h3-6,12-14,18,24,30H,7-11H2,1-2H3,(H,23,29)(H,25,28)(H,26,27)(H2,22,31,32)/t14-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50104969
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
7n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis


Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
11n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis


Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50286341
PNG
((R)-N*1*-[(S)-1-(2-Dimethylamino-ethylcarbamoyl)-2...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN(C)C
Show InChI InChI=1S/C23H35N5O4/c1-15(2)11-16(13-21(29)27-32)22(30)26-20(23(31)24-9-10-28(3)4)12-17-14-25-19-8-6-5-7-18(17)19/h5-8,14-16,20,25,32H,9-13H2,1-4H3,(H,24,31)(H,26,30)(H,27,29)/t16-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC)


Bioorg Med Chem Lett 5: 337-342 (1995)


Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50065453
PNG
((5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-d...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50065452
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38+,45-,47-,48-,49+,50-,52-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50065451
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38-,45+,47+,48+,49-,50+,52+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
49n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysis


Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50065452
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38+,45-,47-,48-,49+,50-,52-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
87n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
101n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50065453
PNG
((5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-d...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
129n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
253n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50065451
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38-,45+,47+,48+,49-,50+,52+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
425n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50065452
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38+,45-,47-,48-,49+,50-,52-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
797n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50065452
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38+,45-,47-,48-,49+,50-,52-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
987n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065452
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38+,45-,47-,48-,49+,50-,52-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50065451
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38-,45+,47+,48+,49-,50+,52+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065451
PNG
(2-Amino-N-{4-[(2S,5S,8S,14S,17R)-8,14-dibenzyl-5-(...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C58H67N9O8/c1-37(42-25-13-6-14-26-42)67-36-51(69)62-48(32-40-21-9-4-10-22-40)55(72)64-49(34-43-35-61-46-28-16-15-27-44(43)46)56(73)63-47(29-17-18-30-60-53(70)45(59)31-39-19-7-3-8-20-39)54(71)66-52(38(2)68)57(74)65-50(58(67)75)33-41-23-11-5-12-24-41/h3-16,19-28,35,37-38,45,47-50,52,61,68H,17-18,29-34,36,59H2,1-2H3,(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,71)/t37-,38-,45+,47+,48+,49-,50+,52+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065453
PNG
((5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-d...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50065450
PNG
(2-Amino-3-phenyl-N-{4-[(2S,5S,8S,14S,17R)-8,10,14-...)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O
Show InChI InChI=1S/C57H65N9O8/c1-37(67)51-56(73)64-49(32-40-22-10-4-11-23-40)57(74)66(35-41-24-12-5-13-25-41)36-50(68)61-47(31-39-20-8-3-9-21-39)54(71)63-48(33-42-34-60-45-27-15-14-26-43(42)45)55(72)62-46(53(70)65-51)28-16-17-29-59-52(69)44(58)30-38-18-6-2-7-19-38/h2-15,18-27,34,37,44,46-49,51,60,67H,16-17,28-33,35-36,58H2,1H3,(H,59,69)(H,61,68)(H,62,72)(H,63,71)(H,64,73)(H,65,70)/t37-,44+,46+,47+,48-,49+,51+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50065453
PNG
((5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-d...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO-K1 cells.


J Med Chem 41: 2679-85 (1998)


Article DOI: 10.1021/jm970393l
BindingDB Entry DOI: 10.7270/Q2Z60N6X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50088527
PNG
(CHEMBL3527358)
Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Article
PubMed
5.80E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis


Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50088527
PNG
(CHEMBL3527358)
Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Article
PubMed
2.87E+5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysis


Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50088527
PNG
(CHEMBL3527358)
Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Article
PubMed
4.03E+5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis


Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50277149
PNG
((S)-2-amino-3-(3-fluoro-4-(octyloxy)phenylamino)-2...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc1F |r|
Show InChI InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-16-10-9-14(12-15(16)19)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249294
PNG
((R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H30N3O5P/c1-23(24,17-31-32(27,28)29)22-25-16-21(26-22)19-11-13-20(14-12-19)30-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17,24H2,1H3,(H,25,26)(H2,27,28,29)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249114
PNG
((S)-2-amino-2-methyl-3-oxo-3-(4-(5-phenylpentyloxy...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315562
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N3O5P/c1-25(30,16-37-38(33,34)35)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)36-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,30H2,1H3,(H,31,32)(H2,33,34,35)/t25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315559
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-20-11-12-22(21(15-20)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 445 total )  |  Next  |  Last  >>
Jump to: