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76 similar compounds to monomer 50023750

Compile data set for download or QSAR
Wt: 1232.5
BDBM85958
Wt: 1163.4
BDBM85962
Wt: 1178.4
BDBM85969
Wt: 1388.7
BDBM85976
Wt: 1151.3
BDBM85096
Wt: 940.2
BDBM50020666
Wt: 1028.2
BDBM50016317
Wt: 1092.3
BDBM50020698
Wt: 982.2
BDBM50023751
Wt: 1079.3
BDBM50452524
Wt: 1133.3
BDBM50030072
Wt: 1204.3
BDBM50030031
Wt: 1164.3
BDBM50030039
Wt: 954.2
BDBM50016760
Wt: 911.1
BDBM50020651
Displayed 1 to 15 (of 76 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 85958,85962,85969,85976,85096,50020666,50016317,50020698,50023751,50452524,50030072,50030031,50030039,50016760,50020651   
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)
BDBM85096
PNG
(CAS_105077 | NSC_105077 | d(CH2)5Tyr(Me)AVP)
Show SMILES COc1ccc(CC2NC(=O)CC3(CCCCC3)SSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)
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0.330n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85976
PNG
(N-Me-Nle8)
Show SMILES CCCCC1N(C)C(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C60H101N21O13S2/c1-8-9-17-44-53(90)75-40(27-32(2)3)49(86)71-29-46(84)73-38(15-11-24-69-59(64)65)51(88)79-47(33(4)5)55(92)76-41(28-35-19-21-36(83)22-20-35)52(89)74-39(16-12-25-70-60(66)67)57(94)81-26-13-18-45(81)54(91)77-42(48(61)85)30-95-96-31-43(56(93)80(44)7)78-50(87)37(72-34(6)82)14-10-23-68-58(62)63/h19-22,32-33,37-45,47,83H,8-18,23-31H2,1-7H3,(H2,61,85)(H,71,86)(H,72,82)(H,73,84)(H,74,89)(H,75,90)(H,76,92)(H,77,91)(H,78,87)(H,79,88)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)
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0.340n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM85096
PNG
(CAS_105077 | NSC_105077 | d(CH2)5Tyr(Me)AVP)
Show SMILES COc1ccc(CC2NC(=O)CC3(CCCCC3)SSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)
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1.79n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50023751
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C46H67N11O9S2/c1-4-66-30-17-15-29(16-18-30)23-32-40(61)54-33(22-28-12-7-5-8-13-28)42(63)57-38(27(2)3)44(65)55-34(24-36(47)58)41(62)56-35(43(64)53-31(39(48)60)14-11-21-51-45(49)50)26-67-68-46(25-37(59)52-32)19-9-6-10-20-46/h5,7-8,12-13,15-18,27,31-35,38H,4,6,9-11,14,19-26H2,1-3H3,(H2,47,58)(H2,48,60)(H,52,59)(H,53,64)(H,54,61)(H,55,65)(H,56,62)(H,57,63)(H4,49,50,51)/t31-,32+,33-,34-,35?,38-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...


J Med Chem 31: 1487-9 (1988)


Article DOI: 10.1021/jm00403a001
BindingDB Entry DOI: 10.7270/Q2S46QZN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50016760
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33-41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(44(62)51-32(40(49)58)15-9-12-22-47)27-65-66-46(26-38(57)50-33)20-10-6-11-21-46/h5,7-8,13-14,16-19,28,32-36,39H,4,6,9-12,15,20-27,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)/t32-,33-,34-,35-,36-,39+/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of human kidney


J Med Chem 32: 391-6 (1989)


Article DOI: 10.1021/jm00122a017
BindingDB Entry DOI: 10.7270/Q2GM8688
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50452524
PNG
(CHEMBL2372291)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35+,36-,37-,38?,39+,42-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...


J Med Chem 31: 1487-9 (1988)


Article DOI: 10.1021/jm00403a001
BindingDB Entry DOI: 10.7270/Q2S46QZN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85962
PNG
(Gva6,Nle8,Ava14,15)
Show SMILES CCCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C51H86N16O11S2/c1-6-7-13-34-46(75)65-35(24-29(2)3)45(74)60-26-41(71)61-33(14-12-23-59-51(55)56)47(76)67-42(30(4)5)49(78)66-36(25-31-17-19-32(68)20-18-31)44(73)57-21-10-8-15-39(69)62-37(43(52)72)27-79-80-28-38(48(77)64-34)63-40(70)16-9-11-22-58-50(53)54/h17-20,29-30,33-38,42,68H,6-16,21-28H2,1-5H3,(H2,52,72)(H,57,73)(H,60,74)(H,61,71)(H,62,69)(H,63,70)(H,64,77)(H,65,75)(H,66,78)(H,67,76)(H4,53,54,58)(H4,55,56,59)
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50016760
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33-41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(44(62)51-32(40(49)58)15-9-12-22-47)27-65-66-46(26-38(57)50-33)20-10-6-11-21-46/h5,7-8,13-14,16-19,28,32-36,39H,4,6,9-12,15,20-27,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)/t32-,33-,34-,35-,36-,39+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney


J Med Chem 32: 391-6 (1989)


Article DOI: 10.1021/jm00122a017
BindingDB Entry DOI: 10.7270/Q2GM8688
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50016760
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33-41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(44(62)51-32(40(49)58)15-9-12-22-47)27-65-66-46(26-38(57)50-33)20-10-6-11-21-46/h5,7-8,13-14,16-19,28,32-36,39H,4,6,9-12,15,20-27,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)/t32-,33-,34-,35-,36-,39+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney.


J Med Chem 28: 1759-60 (1986)


Article DOI: 10.1021/jm00150a003
BindingDB Entry DOI: 10.7270/Q2CC0ZNX
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020666
PNG
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H69N9O8S2/c1-4-63-32-18-16-31(17-19-32)26-35-42(59)53-36(25-30-13-7-5-8-14-30)43(60)55-39(29(2)3)45(62)52-34(20-24-48)41(58)54-37(44(61)51-33(40(49)57)15-9-12-23-47)28-64-65-46(27-38(56)50-35)21-10-6-11-22-46/h5,7-8,13-14,16-19,29,33-37,39H,4,6,9-12,15,20-28,47-48H2,1-3H3,(H2,49,57)(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,58)(H,55,60)/t33-,34+,35-,36+,37+,39-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane


J Med Chem 29: 984-8 (1986)


Article DOI: 10.1021/jm00156a015
BindingDB Entry DOI: 10.7270/Q27M06W4
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020651
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCCN)cc1
Show InChI InChI=1S/C45H66N8O8S2/c1-4-61-32-18-16-31(17-19-32)25-33-41(57)50-34(24-30-14-8-5-9-15-30)43(59)53-39(29(2)3)44(60)51-35(26-37(47)54)42(58)52-36(40(56)48-23-13-7-12-22-46)28-62-63-45(27-38(55)49-33)20-10-6-11-21-45/h5,8-9,14-19,29,33-36,39H,4,6-7,10-13,20-28,46H2,1-3H3,(H2,47,54)(H,48,56)(H,49,55)(H,50,57)(H,51,60)(H,52,58)(H,53,59)/t33-,34-,35-,36-,39+/m1/s1
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6.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-LVP binding to vasopressin receptor in medullary membranes of pig kidney.


J Med Chem 28: 1759-60 (1986)


Article DOI: 10.1021/jm00150a003
BindingDB Entry DOI: 10.7270/Q2CC0ZNX
More data for this
Ligand-Target Pair
GPR145


(Homo sapiens (Human))
BDBM85976
PNG
(N-Me-Nle8)
Show SMILES CCCCC1N(C)C(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C60H101N21O13S2/c1-8-9-17-44-53(90)75-40(27-32(2)3)49(86)71-29-46(84)73-38(15-11-24-69-59(64)65)51(88)79-47(33(4)5)55(92)76-41(28-35-19-21-36(83)22-20-35)52(89)74-39(16-12-25-70-60(66)67)57(94)81-26-13-18-45(81)54(91)77-42(48(61)85)30-95-96-31-43(56(93)80(44)7)78-50(87)37(72-34(6)82)14-10-23-68-58(62)63/h19-22,32-33,37-45,47,83H,8-18,23-31H2,1-7H3,(H2,61,85)(H,71,86)(H,72,82)(H,73,84)(H,74,89)(H,75,90)(H,76,92)(H,77,91)(H,78,87)(H,79,88)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020651
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCCN)cc1
Show InChI InChI=1S/C45H66N8O8S2/c1-4-61-32-18-16-31(17-19-32)25-33-41(57)50-34(24-30-14-8-5-9-15-30)43(59)53-39(29(2)3)44(60)51-35(26-37(47)54)42(58)52-36(40(56)48-23-13-7-12-22-46)28-62-63-45(27-38(55)49-33)20-10-6-11-21-45/h5,8-9,14-19,29,33-36,39H,4,6-7,10-13,20-28,46H2,1-3H3,(H2,47,54)(H,48,56)(H,49,55)(H,50,57)(H,51,60)(H,52,58)(H,53,59)/t33-,34-,35-,36-,39+/m1/s1
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney.


J Med Chem 28: 1759-60 (1986)


Article DOI: 10.1021/jm00150a003
BindingDB Entry DOI: 10.7270/Q2CC0ZNX
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50016760
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCCN)C(N)=O)cc1
Show InChI InChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33-41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(44(62)51-32(40(49)58)15-9-12-22-47)27-65-66-46(26-38(57)50-33)20-10-6-11-21-46/h5,7-8,13-14,16-19,28,32-36,39H,4,6,9-12,15,20-27,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)/t32-,33-,34-,35-,36-,39+/m1/s1
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney.


J Med Chem 28: 1759-60 (1986)


Article DOI: 10.1021/jm00150a003
BindingDB Entry DOI: 10.7270/Q2CC0ZNX
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM85096
PNG
(CAS_105077 | NSC_105077 | d(CH2)5Tyr(Me)AVP)
Show SMILES COc1ccc(CC2NC(=O)CC3(CCCCC3)SSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)
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37.6n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
GPR145


(Homo sapiens (Human))
BDBM85969
PNG
(Ala8,Ava14,15)
Show SMILES CC(C)CC1NC(=O)C(C)NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C50H83N17O12S2/c1-26(2)21-34-44(75)59-23-39(71)62-33(12-10-20-58-50(54)55)46(77)67-40(27(3)4)48(79)65-35(22-30-14-16-31(69)17-15-30)43(74)56-18-8-7-13-38(70)63-36(41(51)72)24-80-81-25-37(47(78)60-28(5)42(73)64-34)66-45(76)32(61-29(6)68)11-9-19-57-49(52)53/h14-17,26-28,32-37,40,69H,7-13,18-25H2,1-6H3,(H2,51,72)(H,56,74)(H,59,75)(H,60,78)(H,61,68)(H,62,71)(H,63,70)(H,64,73)(H,65,79)(H,66,76)(H,67,77)(H4,52,53,57)(H4,54,55,58)
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38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM85096
PNG
(CAS_105077 | NSC_105077 | d(CH2)5Tyr(Me)AVP)
Show SMILES COc1ccc(CC2NC(=O)CC3(CCCCC3)SSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)
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39.6n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020698
PNG
(1-(13,16-Dibenzyl-7-carbamoylmethyl-20-cyclopentyl...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C1CCCC1
Show InChI InChI=1S/C51H73N13O10S2/c1-29(2)43-49(73)61-36(25-40(52)65)46(70)62-37(50(74)64-22-12-20-38(64)48(72)59-33(19-11-21-56-51(54)55)44(68)57-27-41(53)66)28-75-76-39(32-17-9-10-18-32)26-42(67)58-34(23-30-13-5-3-6-14-30)45(69)60-35(47(71)63-43)24-31-15-7-4-8-16-31/h3-8,13-16,29,32-39,43H,9-12,17-28H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34-,35-,36-,37-,38-,39?,43-/m0/s1
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46n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LVP-sensitive adenylate cyclase in a pig renal medullary preparation


J Med Chem 31: 742-4 (1988)


Article DOI: 10.1021/jm00399a009
BindingDB Entry DOI: 10.7270/Q2VD6XFS
More data for this
Ligand-Target Pair
GPR145


(Homo sapiens (Human))
BDBM85958
PNG
(Aoct8,9,10)
Show SMILES CC(C)C1NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCCCNC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C53H89N19O11S2/c1-30(2)42-49(82)68-37(27-32-18-20-33(74)21-19-32)47(80)67-36(15-11-25-64-53(59)60)50(83)72-26-12-16-40(72)48(81)69-38(43(54)76)28-84-85-29-39(70-45(78)34(65-31(3)73)13-9-23-62-51(55)56)44(77)61-22-8-6-4-5-7-17-41(75)66-35(46(79)71-42)14-10-24-63-52(57)58/h18-21,30,34-40,42,74H,4-17,22-29H2,1-3H3,(H2,54,76)(H,61,77)(H,65,73)(H,66,75)(H,67,80)(H,68,82)(H,69,81)(H,70,78)(H,71,79)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)
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63n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
GPR145


(Homo sapiens (Human))
BDBM85962
PNG
(Gva6,Nle8,Ava14,15)
Show SMILES CCCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C51H86N16O11S2/c1-6-7-13-34-46(75)65-35(24-29(2)3)45(74)60-26-41(71)61-33(14-12-23-59-51(55)56)47(76)67-42(30(4)5)49(78)66-36(25-31-17-19-32(68)20-18-31)44(73)57-21-10-8-15-39(69)62-37(43(52)72)27-79-80-28-38(48(77)64-34)63-40(70)16-9-11-22-58-50(53)54/h17-20,29-30,33-38,42,68H,6-16,21-28H2,1-5H3,(H2,52,72)(H,57,73)(H,60,74)(H,61,71)(H,62,69)(H,63,70)(H,64,77)(H,65,75)(H,66,78)(H,67,76)(H4,53,54,58)(H4,55,56,59)
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70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM85096
PNG
(CAS_105077 | NSC_105077 | d(CH2)5Tyr(Me)AVP)
Show SMILES COc1ccc(CC2NC(=O)CC3(CCCCC3)SSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)
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100n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 301-8 (1997)


BindingDB Entry DOI: 10.7270/Q25T3J1N
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85958
PNG
(Aoct8,9,10)
Show SMILES CC(C)C1NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCCCNC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C53H89N19O11S2/c1-30(2)42-49(82)68-37(27-32-18-20-33(74)21-19-32)47(80)67-36(15-11-25-64-53(59)60)50(83)72-26-12-16-40(72)48(81)69-38(43(54)76)28-84-85-29-39(70-45(78)34(65-31(3)73)13-9-23-62-51(55)56)44(77)61-22-8-6-4-5-7-17-41(75)66-35(46(79)71-42)14-10-24-63-52(57)58/h18-21,30,34-40,42,74H,4-17,22-29H2,1-3H3,(H2,54,76)(H,61,77)(H,65,73)(H,66,75)(H,67,80)(H,68,82)(H,69,81)(H,70,78)(H,71,79)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)
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4.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/acs.biochem.6b00023
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50452524
PNG
(CHEMBL2372291)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35+,36-,37-,38?,39+,42-/m0/s1
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1.10E+6n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...


J Med Chem 31: 1487-9 (1988)


Article DOI: 10.1021/jm00403a001
BindingDB Entry DOI: 10.7270/Q2S46QZN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50023751
PNG
(19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C46H67N11O9S2/c1-4-66-30-17-15-29(16-18-30)23-32-40(61)54-33(22-28-12-7-5-8-13-28)42(63)57-38(27(2)3)44(65)55-34(24-36(47)58)41(62)56-35(43(64)53-31(39(48)60)14-11-21-51-45(49)50)26-67-68-46(25-37(59)52-32)19-9-6-10-20-46/h5,7-8,12-13,15-18,27,31-35,38H,4,6,9-11,14,19-26H2,1-3H3,(H2,47,58)(H2,48,60)(H,52,59)(H,53,64)(H,54,61)(H,55,65)(H,56,62)(H,57,63)(H4,49,50,51)/t31-,32+,33-,34-,35?,38-/m0/s1
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1.50E+6n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...


J Med Chem 31: 1487-9 (1988)


Article DOI: 10.1021/jm00403a001
BindingDB Entry DOI: 10.7270/Q2S46QZN
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50452524
PNG
(CHEMBL2372291)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35+,36-,37-,38?,39+,42-/m0/s1
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3.60E+6n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...


J Med Chem 31: 1487-9 (1988)


Article DOI: 10.1021/jm00403a001
BindingDB Entry DOI: 10.7270/Q2S46QZN
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030039
PNG
(Ac-(D-Pen)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL23715...)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H73N17O14S2/c1-23(65)57-36-43(76)62-30(19-33(48)66)44(77)64-17-7-10-32(64)42(75)60-26(8-5-15-54-45(50)51)38(71)56-21-34(67)58-29(20-35(68)69)41(74)61-28(18-24-11-13-25(78-4)14-12-24)40(73)59-27(9-6-16-55-46(52)53)39(72)63-31(37(49)70)22-79-80-47(36,2)3/h11-14,26-32,36H,5-10,15-22H2,1-4H3,(H2,48,66)(H2,49,70)(H,56,71)(H,57,65)(H,58,67)(H,59,73)(H,60,75)(H,61,74)(H,62,76)(H,63,72)(H,68,69)(H4,50,51,54)(H4,52,53,55)/t26-,27-,28+,29-,30-,31-,32+,36+/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030039
PNG
(Ac-(D-Pen)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL23715...)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H73N17O14S2/c1-23(65)57-36-43(76)62-30(19-33(48)66)44(77)64-17-7-10-32(64)42(75)60-26(8-5-15-54-45(50)51)38(71)56-21-34(67)58-29(20-35(68)69)41(74)61-28(18-24-11-13-25(78-4)14-12-24)40(73)59-27(9-6-16-55-46(52)53)39(72)63-31(37(49)70)22-79-80-47(36,2)3/h11-14,26-32,36H,5-10,15-22H2,1-4H3,(H2,48,66)(H2,49,70)(H,56,71)(H,57,65)(H,58,67)(H,59,73)(H,60,75)(H,61,74)(H,62,76)(H,63,72)(H,68,69)(H4,50,51,54)(H4,52,53,55)/t26-,27-,28+,29-,30-,31-,32+,36+/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030072
PNG
((Pmp)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371512)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)CC3(CCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31-,32-,33+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(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)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 53n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(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)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 8.20E+10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from rat liver using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(BOVINE)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(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)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 9.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030039
PNG
(Ac-(D-Pen)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL23715...)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C47H73N17O14S2/c1-23(65)57-36-43(76)62-30(19-33(48)66)44(77)64-17-7-10-32(64)42(75)60-26(8-5-15-54-45(50)51)38(71)56-21-34(67)58-29(20-35(68)69)41(74)61-28(18-24-11-13-25(78-4)14-12-24)40(73)59-27(9-6-16-55-46(52)53)39(72)63-31(37(49)70)22-79-80-47(36,2)3/h11-14,26-32,36H,5-10,15-22H2,1-4H3,(H2,48,66)(H2,49,70)(H,56,71)(H,57,65)(H,58,67)(H,59,73)(H,60,75)(H,61,74)(H,62,76)(H,63,72)(H,68,69)(H4,50,51,54)(H4,52,53,55)/t26-,27-,28+,29-,30-,31-,32+,36+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
AVPR2


(BOVINE)
BDBM50016317
PNG
(CHEMBL2371674 | [Mpa1Val4MeAla7]AVP (Arginine-vaso...)
Show SMILES CC(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)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H65N13O11S2/c1-24(2)37-43(68)55-32(21-34(46)60)41(66)56-33(44(69)58(4)25(3)38(63)53-29(11-8-17-50-45(48)49)39(64)51-22-35(47)61)23-71-70-18-16-36(62)52-30(20-27-12-14-28(59)15-13-27)40(65)54-31(42(67)57-37)19-26-9-6-5-7-10-26/h5-7,9-10,12-15,24-25,29-33,37,59H,8,11,16-23H2,1-4H3,(H2,46,60)(H2,47,61)(H,51,64)(H,52,62)(H,53,63)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H4,48,49,50)/t25-,29-,30+,31-,32-,33-,37+/m0/s1
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n/an/an/a 8.50E+9n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]-AVP as a radioligand


J Med Chem 29: 96-9 (1986)


Article DOI: 10.1021/jm00151a016
BindingDB Entry DOI: 10.7270/Q2P849V1
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030031
PNG
(Ac-(Pmc)-N-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL2371523)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(N)=O)cc1
Show InChI InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair