BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 671 hits with Last Name = 'becker' and Initial = 'a'   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
0.100n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like type, human Opioid receptor like 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459408
PNG
(CHEMBL3307200)
Show SMILES Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)
BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.480n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from V1A receptor in Wistar rat liver membranes incubated for 60 mins by microplate scintillation counting method


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50307117
PNG
(CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.570n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459401
PNG
(CHEMBL4210854)
Show SMILES O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
PDB

UniProtKB/SwissProt

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



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307117
PNG
(CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from V2 receptor in Wistar rat kidney membranes incubated for 60 mins by microplate scintillation counting method


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.20n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459396
PNG
(CHEMBL4209266)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCCCC2)c(Cl)c1
Show InChI InChI=1S/C17H20ClN3O/c1-13-8-11-21(19-13)14-6-7-15(16(18)12-14)17(22)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459396
PNG
(CHEMBL4209266)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCCCC2)c(Cl)c1
Show InChI InChI=1S/C17H20ClN3O/c1-13-8-11-21(19-13)14-6-7-15(16(18)12-14)17(22)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459392
PNG
(CHEMBL4216873)
Show SMILES Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCC(=O)c2ccccc12
Show InChI InChI=1S/C21H19N3O2/c1-15-12-14-24(22-15)17-10-8-16(9-11-17)21(26)23-13-4-7-20(25)18-5-2-3-6-19(18)23/h2-3,5-6,8-12,14H,4,7,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459395
PNG
(CHEMBL4210158)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)c2ccccc12
Show InChI InChI=1S/C23H25ClN4O/c1-16-12-14-28(25-16)17-10-11-18(20(24)15-17)23(29)27-13-6-9-21(26(2)3)19-7-4-5-8-22(19)27/h4-5,7-8,10-12,14-15,21H,6,9,13H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459394
PNG
(CHEMBL4215258)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459394
PNG
(CHEMBL4215258)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459396
PNG
(CHEMBL4209266)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCCCC2)c(Cl)c1
Show InChI InChI=1S/C17H20ClN3O/c1-13-8-11-21(19-13)14-6-7-15(16(18)12-14)17(22)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459401
PNG
(CHEMBL4210854)
Show SMILES O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459394
PNG
(CHEMBL4215258)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459410
PNG
(CHEMBL4209421)
Show SMILES Clc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H16ClNO/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459413
PNG
(CHEMBL4218739)
Show SMILES Brc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H16BrNO/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50094081
PNG
((4-Amino-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepi...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H18N2O/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12,18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459412
PNG
(CHEMBL4207413)
Show SMILES C[N+](C)(C)c1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C20H25N2O/c1-22(2,3)18-13-11-17(12-14-18)20(23)21-15-7-6-9-16-8-4-5-10-19(16)21/h4-5,8,10-14H,6-7,9,15H2,1-3H3/q+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459407
PNG
(CHEMBL4204008)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13,20,26H,4,7,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459392
PNG
(CHEMBL4216873)
Show SMILES Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCC(=O)c2ccccc12
Show InChI InChI=1S/C21H19N3O2/c1-15-12-14-24(22-15)17-10-8-16(9-11-17)21(26)23-13-4-7-20(25)18-5-2-3-6-19(18)23/h2-3,5-6,8-12,14H,4,7,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of DY647 from SNAP-tagged V1A receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143267
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459409
PNG
(CHEMBL4218211)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-2-3-8-17-12-14-19(15-13-17)21(23)22-16-7-6-10-18-9-4-5-11-20(18)22/h4-5,9,11-15H,2-3,6-8,10,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of DY647 from SNAP-tagged OTR receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
34n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459415
PNG
(CHEMBL4206233)
Show SMILES Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H21N3O/c1-16-13-15-24(22-16)19-11-9-18(10-12-19)21(25)23-14-5-4-7-17-6-2-3-8-20(17)23/h2-3,6,8-13,15H,4-5,7,14H2,1H3
PDB

UniProtKB/SwissProt

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



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121313
PNG
(Ac-Arg-D-Cha-Qaa-D-Arg-D-pClPhe-NH2 | CHEMBL355931)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32?,33+,34+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
35n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459409
PNG
(CHEMBL4218211)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-2-3-8-17-12-14-19(15-13-17)21(23)22-16-7-6-10-18-9-4-5-11-20(18)22/h4-5,9,11-15H,2-3,6-8,10,16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459404
PNG
(CHEMBL4205046)
Show SMILES Cc1ccn(n1)C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H21ClN4O2/c1-15-11-13-27(25-15)22(29)24-17-9-10-18(19(23)14-17)21(28)26-12-5-4-7-16-6-2-3-8-20(16)26/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3,(H,24,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
38n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
40n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2 receptor (unknown origin)


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from OTR in Wistar rat uterus membranes incubated for 60 mins by microplate scintillation counting method


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121312
PNG
(Ac-Arg-D-Cha-I2aa-D-Arg-D-pClPhe-NH2 | CHEMBL26660...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31-,32+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
44n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459406
PNG
(CHEMBL4213812)
Show SMILES Ic1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H16INO/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
48n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
50n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459409
PNG
(CHEMBL4218211)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-2-3-8-17-12-14-19(15-13-17)21(23)22-16-7-6-10-18-9-4-5-11-20(18)22/h4-5,9,11-15H,2-3,6-8,10,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
52n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
53n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [Tyrosyl-2,6-3H]oxytocin from recombinant human OTR expressed in CHO-DUKX-A2 cells incubated for 180 mins by scintillation counting b...


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459400
PNG
(CHEMBL4217872)
Show SMILES CN(C)C(=S)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C25H29N7O2S/c1-16-11-17(9-10-18(16)12-26-25(34)27-14-22(35)30(2)3)24(33)32-15-19-13-28-31(4)23(19)29-20-7-5-6-8-21(20)32/h5-11,13,29H,12,14-15H2,1-4H3,(H2,26,27,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
61n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of DY647 from SNAP-tagged OTR receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459411
PNG
(CHEMBL4206482)
Show SMILES CCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C20H23NO/c1-2-7-16-11-13-18(14-12-16)20(22)21-15-6-5-9-17-8-3-4-10-19(17)21/h3-4,8,10-14H,2,5-7,9,15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
63n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459405
PNG
(CHEMBL4205970)
Show SMILES O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C22H20N2O/c25-22(24-15-4-3-7-18-6-1-2-9-21(18)24)19-12-10-17(11-13-19)20-8-5-14-23-16-20/h1-2,5-6,8-14,16H,3-4,7,15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
67n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459408
PNG
(CHEMBL3307200)
Show SMILES Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from OTR receptor in human USMC cell membranes


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143270
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-6-20-48-41(45)46)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-7-21-49-42(47)63)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
72n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121312
PNG
(Ac-Arg-D-Cha-I2aa-D-Arg-D-pClPhe-NH2 | CHEMBL26660...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31-,32+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
75n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor mu 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 671 total )  |  Next  |  Last  >>
Jump to: