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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50002347'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50002347
PNG
(CHEMBL425806 | [N-cyclopropyl methylTyr1, D-pro10]...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C67H109N21O13/c1-5-40(4)55(62(98)84-47(20-13-31-77-67(73)74)63(99)88-32-14-21-52(88)61(97)85-48(64(100)101)17-9-10-28-68)87-58(94)46(19-12-30-76-66(71)72)82-57(93)45(18-11-29-75-65(69)70)83-59(95)50(33-39(2)3)86-60(96)51(35-41-15-7-6-8-16-41)81-54(91)38-79-53(90)37-80-56(92)49(78-36-43-22-23-43)34-42-24-26-44(89)27-25-42/h6-8,15-16,24-27,39-40,43,45-52,55,78,89H,5,9-14,17-23,28-38,68H2,1-4H3,(H,79,90)(H,80,92)(H,81,91)(H,82,93)(H,83,95)(H,84,98)(H,85,97)(H,86,96)(H,87,94)(H,100,101)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,45-,46-,47-,48-,49-,50-,51-,52+,55-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 0.0200n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes

J Med Chem 35: 4638-9 (1993)


BindingDB Entry DOI: 10.7270/Q2416XPM
More data for this
Ligand-Target Pair