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BDBM50342030 CHEMBL1765665::triethylamine hemi(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamido)-6-(2-(6-amino-3-imino-4,5-disulfonato-3H-xanthen-9-yl)-5-((2,3,5,6-tetrafluorophenoxy)carbonyl)benzamido)hexanamido)acetate)

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O

InChI Key: InChIKey=HOGUMWHJVRRZNM-WFFGTWMSSA-L

Data: 4 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50342030   
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
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50342030
PNG
(CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)|
Show InChI InChI=1S/C68H78N12O22S4/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101)/p-2/t45-,46-,47-,48-,49-,50-,51-/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins

J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50342030
PNG
(CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)|
Show InChI InChI=1S/C68H78N12O22S4/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101)/p-2/t45-,46-,47-,48-,49-,50-,51-/m0/s1
PDB

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PubMed
 30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins

J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50342030
PNG
(CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)|
Show InChI InChI=1S/C68H78N12O22S4/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101)/p-2/t45-,46-,47-,48-,49-,50-,51-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
 258n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins

J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50342030
PNG
(CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)|
Show InChI InChI=1S/C68H78N12O22S4/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101)/p-2/t45-,46-,47-,48-,49-,50-,51-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins

J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50342030
PNG
(CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)|
Show InChI InChI=1S/C68H78N12O22S4/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101)/p-2/t45-,46-,47-,48-,49-,50-,51-/m0/s1
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UniChem

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n/an/an/an/a 6.93n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol ph...

J Med Chem 54: 2864-77 (2011)


Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ
More data for this
Ligand-Target Pair