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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CCKBR' and Ligand = 'BDBM50002515'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CCKBR


(GUINEA PIG)
BDBM50002515
PNG
((A-71623)3-[2-[2-tert-Butoxycarbonylamino-3-(1H-in...)
Show SMILES CN(C(Cc1ccccc1)C(N)=O)C(=O)C(CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34?,35?,36?/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
CCKBR


(GUINEA PIG)
BDBM50002515
PNG
((A-71623)3-[2-[2-tert-Butoxycarbonylamino-3-(1H-in...)
Show SMILES CN(C(Cc1ccccc1)C(N)=O)C(=O)C(CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34?,35?,36?/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair