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BDBM50413762 CHEMBL509604

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

InChI Key: InChIKey=VBFFANNJTGEFOZ-MUVJKTISSA-N

Data: 1 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 2 hits for monomerid = 50413762   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413762
PNG
(CHEMBL509604)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C51H68N10O10S2/c1-28(2)41(50(70)71)60-48(68)40-27-72-73-51(4,5)42(61-43(63)29(3)53)49(69)58-38(23-30-13-7-6-8-14-30)45(65)57-39(25-32-26-54-35-16-10-9-15-34(32)35)47(67)55-36(17-11-12-22-52)44(64)56-37(46(66)59-40)24-31-18-20-33(62)21-19-31/h6-10,13-16,18-21,26,28-29,36-42,54,62H,11-12,17,22-25,27,52-53H2,1-5H3,(H,55,67)(H,56,64)(H,57,65)(H,58,69)(H,59,66)(H,60,68)(H,61,63)(H,70,71)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.794n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50413762
PNG
(CHEMBL509604)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C51H68N10O10S2/c1-28(2)41(50(70)71)60-48(68)40-27-72-73-51(4,5)42(61-43(63)29(3)53)49(69)58-38(23-30-13-7-6-8-14-30)45(65)57-39(25-32-26-54-35-16-10-9-15-34(32)35)47(67)55-36(17-11-12-22-52)44(64)56-37(46(66)59-40)24-31-18-20-33(62)21-19-31/h6-10,13-16,18-21,26,28-29,36-42,54,62H,11-12,17,22-25,27,52-53H2,1-5H3,(H,55,67)(H,56,64)(H,57,65)(H,58,69)(H,59,66)(H,60,68)(H,61,63)(H,70,71)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.12n/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Agonist activity at UT2 receptor in Albino rat aorta assessed as induction of aortic contraction


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair