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2 similar compounds to monomer 50165979

Compile data set for download or QSAR
Wt: 1021.2
BDBM50180154
Wt: 306.1
BDBM50273716

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50180154,50273716   
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


(Homo sapiens (Human))
BDBM50180154
PNG
(CHEMBL3814617)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)43(67)55(5)32(18-34(47)59)41(65)53-30(21-70-69-20-26(45)37(61)51-29(39(63)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-31(56)40(64)52-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,66)(H,51,61)(H,52,64)(H,53,65)(H,54,63)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...


Bioorg Med Chem 24: 3513-20 (2016)


Article DOI: 10.1016/j.bmc.2016.05.062
BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50180154
PNG
(CHEMBL3814617)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)43(67)55(5)32(18-34(47)59)41(65)53-30(21-70-69-20-26(45)37(61)51-29(39(63)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-31(56)40(64)52-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,66)(H,51,61)(H,52,64)(H,53,65)(H,54,63)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/s2
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Similars

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 d...


Bioorg Med Chem 24: 3513-20 (2016)


Article DOI: 10.1016/j.bmc.2016.05.062
BindingDB Entry DOI: 10.7270/Q2WH2RXT
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50273716
PNG
(CHEMBL457423 | [2-(Benzoimidazol-1-yl)ethyl]-bisph...)
Show SMILES OP(O)(=O)C(Cn1cnc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O6P2/c12-18(13,14)9(19(15,16)17)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,9H,5H2,(H2,12,13,14)(H2,15,16,17)
PDB
MMDB

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PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16.1n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair