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BDBM50133217 CHEMBL3634917

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=CYQSLOXDHLROCC-VRASZPPSSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133217   
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133217
PNG
(CHEMBL3634917)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C69H107N23O13/c1-41(2)34-52(91-63(102)53(36-43-16-6-4-7-17-43)86-57(96)40-82-56(95)39-84-60(99)51(35-44-25-27-46(94)28-26-44)81-37-45-18-8-5-9-19-45)62(101)89-49(22-13-31-79-68(74)75)61(100)88-48(21-12-30-78-67(72)73)59(98)83-38-54(85-42(3)93)64(103)90-50(23-14-32-80-69(76)77)66(105)92-33-15-24-55(92)65(104)87-47(58(71)97)20-10-11-29-70/h4-9,16-19,25-28,41,47-55,81,94H,10-15,20-24,29-40,70H2,1-3H3,(H2,71,97)(H,82,95)(H,83,98)(H,84,99)(H,85,93)(H,86,96)(H,87,104)(H,88,100)(H,89,101)(H,90,103)(H,91,102)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t47-,48-,49-,50-,51-,52-,53-,54?,55-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)


Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133217
PNG
(CHEMBL3634917)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C69H107N23O13/c1-41(2)34-52(91-63(102)53(36-43-16-6-4-7-17-43)86-57(96)40-82-56(95)39-84-60(99)51(35-44-25-27-46(94)28-26-44)81-37-45-18-8-5-9-19-45)62(101)89-49(22-13-31-79-68(74)75)61(100)88-48(21-12-30-78-67(72)73)59(98)83-38-54(85-42(3)93)64(103)90-50(23-14-32-80-69(76)77)66(105)92-33-15-24-55(92)65(104)87-47(58(71)97)20-10-11-29-70/h4-9,16-19,25-28,41,47-55,81,94H,10-15,20-24,29-40,70H2,1-3H3,(H2,71,97)(H,82,95)(H,83,98)(H,84,99)(H,85,93)(H,86,96)(H,87,104)(H,88,100)(H,89,101)(H,90,103)(H,91,102)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t47-,48-,49-,50-,51-,52-,53-,54?,55-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
157n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)


Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z
More data for this
Ligand-Target Pair