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BDBM50038601 4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr(I)-NH2::4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2::CHEMBL424905

SMILES: CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]

InChI Key: InChIKey=LONVIEZKUWPIMS-COQAPAFSSA-N

Data: 4 KI  1 Kd

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 = 50038601   
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
AVPR1A


(RAT)		BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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 0.110n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subty...

J Med Chem 37: 1841-9 (1994)


BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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 0.200n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Inhibition constant for V1a receptor of rat liver membrane

J Med Chem 37: 1841-9 (1994)


BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))		BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at V2 receptor of rat kidney membrane

J Med Chem 37: 1841-9 (1994)


BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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 37.7n/an/an/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for inhibition constant at OT receptor of rat mamary glands

J Med Chem 37: 1841-9 (1994)


BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)		BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/a 0.190n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane

J Med Chem 37: 1841-9 (1994)


BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair