BDBM168149 US10081602, Example 23::US10865186, Compound 23::US9688638, 23

SMILES: C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O

InChI Key: InChIKey=QQYFZOOTKZHQPE-OSGPJOMKSA-N

Data: 6 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 168149   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Nektar Therapeutics US Patent					Assay Description The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06E+3	-8.15	n/a	n/a	n/a	n/a	n/a	7.5	25
Nektar Therapeutics US Patent					Assay Description Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...				US Patent US9688638 (2017) BindingDB Entry DOI: 10.7270/Q2VM49FN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...				US Patent US10865186 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent									US Patent US10865186 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.96E+3	-6.95	n/a	n/a	n/a	n/a	n/a	7.5	25
Nektar Therapeutics US Patent					Assay Description Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...				US Patent US9688638 (2017) BindingDB Entry DOI: 10.7270/Q2VM49FN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Nektar Therapeutics US Patent					Assay Description The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	395	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...				US Patent US9688638 (2017) BindingDB Entry DOI: 10.7270/Q2VM49FN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...				US Patent US9688638 (2017) BindingDB Entry DOI: 10.7270/Q2VM49FN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	395	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair