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BDBM50442981 CHEMBL3087926

SMILES: CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=KUKLJJQXWSPGOA-ASGKHKFISA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50442981   
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
G-protein Coupled Receptor 54


(Homo sapiens (human))
BDBM50442981
PNG
(CHEMBL3087926)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C62H83N17O14/c1-34(2)25-45(55(87)70-43(19-12-24-68-61(66)67-3)54(86)71-44(52(65)84)27-35-13-6-4-7-14-35)77-62(93)79-78-60(92)46(28-36-15-8-5-9-16-36)72-59(91)50(33-81)76-57(89)48(30-51(64)83)74-56(88)47(29-38-31-69-42-18-11-10-17-40(38)42)73-58(90)49(32-80)75-53(85)41(63)26-37-20-22-39(82)23-21-37/h4-11,13-18,20-23,31,34,41,43-50,69,80-82H,12,19,24-30,32-33,63H2,1-3H3,(H2,64,83)(H2,65,84)(H,70,87)(H,71,86)(H,72,91)(H,73,90)(H,74,88)(H,75,85)(H,76,89)(H,78,92)(H3,66,67,68)(H2,77,79,93)/t41-,43+,44+,45+,46+,47+,48+,49-,50+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0860n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human KISS1R expressed in CHO cell membranes


J Med Chem 56: 8298-307 (2013)

More data for this
Ligand-Target Pair
KiSS-1 receptor


(Rattus norvegicus)
BDBM50442981
PNG
(CHEMBL3087926)
Show SMILES CNC(N)=NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C62H83N17O14/c1-34(2)25-45(55(87)70-43(19-12-24-68-61(66)67-3)54(86)71-44(52(65)84)27-35-13-6-4-7-14-35)77-62(93)79-78-60(92)46(28-36-15-8-5-9-16-36)72-59(91)50(33-81)76-57(89)48(30-51(64)83)74-56(88)47(29-38-31-69-42-18-11-10-17-40(38)42)73-58(90)49(32-80)75-53(85)41(63)26-37-20-22-39(82)23-21-37/h4-11,13-18,20-23,31,34,41,43-50,69,80-82H,12,19,24-30,32-33,63H2,1-3H3,(H2,64,83)(H2,65,84)(H,70,87)(H,71,86)(H,72,91)(H,73,90)(H,74,88)(H,75,85)(H,76,89)(H,78,92)(H3,66,67,68)(H2,77,79,93)/t41-,43+,44+,45+,46+,47+,48+,49-,50+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0930n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rat KISS1R


J Med Chem 56: 8298-307 (2013)

More data for this
Ligand-Target Pair