null

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

InChI Key: InChIKey=DZAXUMWVIDHSHQ-JBZDTAIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 168150   

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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	494	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	494	-8.60	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	494	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.81E+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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.81E+3	-7.83	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.81E+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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/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	598	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/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	107	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/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	580	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/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	107	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