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BDBM50020655 CHEMBL408474::[6-Amino-2-({1-[19-amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-hexanoylamino]-acetic acid

SMILES: NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(O)=O

InChI Key: InChIKey=ZROKNFKQDJQQGV-FQMYWHBPSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020655   
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 V2 receptor


(Sus scrofa)
BDBM50020655
PNG
(CHEMBL408474 | [6-Amino-2-({1-[19-amino-13-benzyl-...)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(O)=O
Show InChI InChI=1S/C46H64N12O13S2/c47-17-5-4-9-29(40(65)51-22-38(62)63)53-45(70)35-10-6-18-58(35)46(71)34-24-73-72-23-28(48)39(64)54-31(20-26-11-13-27(59)14-12-26)43(68)55-32(19-25-7-2-1-3-8-25)42(67)52-30(15-16-36(49)60)41(66)56-33(21-37(50)61)44(69)57-34/h1-3,7-8,11-14,28-35,59H,4-6,9-10,15-24,47-48H2,(H2,49,60)(H2,50,61)(H,51,65)(H,52,67)(H,53,70)(H,54,64)(H,55,68)(H,56,66)(H,57,69)(H,62,63)/t28-,29+,30-,31-,32+,33+,34+,35-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/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
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020655
PNG
(CHEMBL408474 | [6-Amino-2-({1-[19-amino-13-benzyl-...)
Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(O)=O
Show InChI InChI=1S/C46H64N12O13S2/c47-17-5-4-9-29(40(65)51-22-38(62)63)53-45(70)35-10-6-18-58(35)46(71)34-24-73-72-23-28(48)39(64)54-31(20-26-11-13-27(59)14-12-26)43(68)55-32(19-25-7-2-1-3-8-25)42(67)52-30(15-16-36(49)60)41(66)56-33(21-37(50)61)44(69)57-34/h1-3,7-8,11-14,28-35,59H,4-6,9-10,15-24,47-48H2,(H2,49,60)(H2,50,61)(H,51,65)(H,52,67)(H,53,70)(H,54,64)(H,55,68)(H,56,66)(H,57,69)(H,62,63)/t28-,29+,30-,31-,32+,33+,34+,35-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of hog kidney renin


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