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3 similar compounds to monomer 50103475

Compile data set for download or QSAR
Wt: 1324.3
BDBM50103476
Wt: 1364.3
BDBM50103477
Wt: 1338.3
BDBM50103478

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50103476,50103477,50103478   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50103477
PNG
(CHEMBL386180 | Pmp-Tyr-Ile-Thr-Asn-Cys-Pro-Orn-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O
Show InChI InChI=1S/C56H82IN15O13S2/c1-4-30(2)46(68-51(81)39(25-32-12-15-34(74)16-13-32)63-45(77)28-56(19-6-5-7-20-56)87-23-18-43(59)75)53(83)69-47(31(3)73)54(84)66-40(27-44(60)76)50(80)67-41(29-86)55(85)72-22-9-11-42(72)52(82)64-37(10-8-21-58)49(79)65-38(48(61)78)26-33-14-17-36(70-71-62)35(57)24-33/h12-17,24,30-31,37-42,46-47,73-74,86H,4-11,18-23,25-29,58H2,1-3H3,(H2,59,75)(H2,60,76)(H2,61,78)(H,63,77)(H,64,82)(H,65,79)(H,66,84)(H,67,80)(H,68,81)(H,69,83)/t30-,31+,37?,38?,39-,40-,41-,42?,46-,47-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards OT receptor in CHO cells expressing the human OT receptor


J Med Chem 44: 3022-30 (2001)


Article DOI: 10.1021/jm010125u
BindingDB Entry DOI: 10.7270/Q29S1Q9F
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50103478
PNG
(CHEMBL406670 | Pmp-Tyr(Me)-Ile-Thr-Asn-Cys-Pro-Orn...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O
Show InChI InChI=1S/C54H80IN15O13S2/c1-5-29(2)45(67-51(80)38(23-31-11-14-33(83-4)15-12-31)63-43(74)26-54(18-7-6-8-19-54)85-21-17-41(57)72)52(81)68-46(30(3)71)53(82)65-39(25-42(58)73)50(79)66-40(28-84)48(77)61-27-44(75)62-36(10-9-20-56)49(78)64-37(47(59)76)24-32-13-16-35(69-70-60)34(55)22-32/h11-16,22,29-30,36-40,45-46,71,84H,5-10,17-21,23-28,56H2,1-4H3,(H2,57,72)(H2,58,73)(H2,59,76)(H,61,77)(H,62,75)(H,63,74)(H,64,78)(H,65,82)(H,66,79)(H,67,80)(H,68,81)/t29-,30+,36?,37?,38-,39-,40-,45-,46-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards OT receptor in CHO cells expressing the human OT receptor


J Med Chem 44: 3022-30 (2001)


Article DOI: 10.1021/jm010125u
BindingDB Entry DOI: 10.7270/Q29S1Q9F
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50103476
PNG
(CHEMBL412559 | Pmp-Tyr-Ile-Thr-Asn-Cys-Pro-Orn-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1(CCCCC1)SCCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NC(CCCN)C(=O)NC(Cc1ccc(N=[N+]=[N-])c(I)c1)C(N)=O
Show InChI InChI=1S/C53H78IN15O13S2/c1-4-28(2)44(66-50(80)37(22-30-10-13-32(71)14-11-30)62-42(74)25-53(17-6-5-7-18-53)84-20-16-40(56)72)51(81)67-45(29(3)70)52(82)64-38(24-41(57)73)49(79)65-39(27-83)47(77)60-26-43(75)61-35(9-8-19-55)48(78)63-36(46(58)76)23-31-12-15-34(68-69-59)33(54)21-31/h10-15,21,28-29,35-39,44-45,70-71,83H,4-9,16-20,22-27,55H2,1-3H3,(H2,56,72)(H2,57,73)(H2,58,76)(H,60,77)(H,61,75)(H,62,74)(H,63,78)(H,64,82)(H,65,79)(H,66,80)(H,67,81)/t28-,29+,35?,36?,37-,38-,39-,44-,45-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity towards OT receptor in CHO cells expressing the human OT receptor


J Med Chem 44: 3022-30 (2001)


Article DOI: 10.1021/jm010125u
BindingDB Entry DOI: 10.7270/Q29S1Q9F
More data for this
Ligand-Target Pair