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BDBM160158 US9040663, 4

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O

InChI Key: InChIKey=JPHOERRRWXXXOC-IQSCWYJSSA-N

Data: 2 KI

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 = 160158   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160158
PNG
(US9040663, 4)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-45(75)38(22-27-24-60-31-8-3-2-7-29(27)31)67-42(72)34(11-6-20-59-48(55)56)63-46(76)37(21-26-12-13-28(49)23-30(26)50)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,23-24,32-38,60H,4-6,9-11,14-22,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.0550 -14.5n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM160158
PNG
(US9040663, 4)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-45(75)38(22-27-24-60-31-8-3-2-7-29(27)31)67-42(72)34(11-6-20-59-48(55)56)63-46(76)37(21-26-12-13-28(49)23-30(26)50)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,23-24,32-38,60H,4-6,9-11,14-22,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.5 -13.2n/an/an/an/an/a7.537



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair