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BDBM50143266 7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamino)-3-cyclohexyl-propionylamino]-6-oxo-octahydro-quinolizine-4-carboxylic acid {(R)-1-[1-carbamoyl-2-((R)-4-chloro-phenyl)-ethylcarbamoyl]-4-guanidino-butyl}-amide::CHEMBL3144465

SMILES: [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O

InChI Key: InChIKey=HINHHXIQNCLTAZ-KDTLTVJNSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50143266   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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45n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor (Mu)


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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85n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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153n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor delta 1 was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair