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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 = 'BDBM50033656'   
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


(Homo sapiens (Human))		BDBM50033656
PNG
(1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...)
Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)C=CC2=O)ccc3O |c:36,THB:9:8:16:4.5.6,3:4:16:8.14.13,17:16:4.5.6:8.14.13|
Show InChI InChI=1S/C30H29N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-13,19,23,34H,2-3,14-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor from calf frontal cortex.

J Med Chem 36: 3154-60 (1993)


BindingDB Entry DOI: 10.7270/Q2K64H31
More data for this
Ligand-Target Pair