BDBM50044734 CHEMBL3354585

SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCCC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC

InChI Key InChIKey=COMIMQQIDBGQFG-SFKWGLIHSA-N

Data  1 IC50  4 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50044734   

TargetOxytocin receptor(Homo sapiens (Human))
Ferring Research Institute Inc.

Curated by ChEMBL
LigandPNGBDBM50044734(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
Affinity DataEC50:  0.110nMAssay Description:Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Ferring Research Institute Inc.

Curated by ChEMBL
LigandPNGBDBM50044734(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
Affinity DataEC50:  110nMAssay Description:Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Ferring Research Institute Inc.

Curated by ChEMBL
LigandPNGBDBM50044734(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
Affinity DataEC50:  86nMAssay Description:Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Ferring Research Institute Inc.

Curated by ChEMBL
LigandPNGBDBM50044734(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Ferring Research Institute Inc.

Curated by ChEMBL
LigandPNGBDBM50044734(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/m0/s1
Affinity DataEC50:  500nMAssay Description:Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair