Compile Data Set for Download or QSAR

Found 424 hits with Last Name = 'turtle' and Initial = 'ed'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450934 (US10676469, Compound 174 | US11124504, Cpd. No. 17...) Show SMILES C[C@@H]1C[C@H](CCN1c1nc2c(Cl)cc(C)cc2c(C)c1-c1nc(C)no1)NC1CCOCC1 |r| Show InChI InChI=1S/C25H32ClN5O2/c1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18/h11-12,15,18-19,28H,5-10,13H2,1-4H3/t15-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450855 (US10676469, Compound 113 | US11124504, Cpd. No. 11...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(C#N)c2nc1N1CCC(CC1)N[C@H]1CCCOC1 |r| Show InChI InChI=1S/C26H29F3N6O2/c1-15-21-11-17(12-26(27,28)29)10-18(13-30)23(21)33-24(22(15)25-31-16(2)34-37-25)35-7-5-19(6-8-35)32-20-4-3-9-36-14-20/h10-11,19-20,32H,3-9,12,14H2,1-2H3/t20-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450937 (US10676469, Compound 181 | US11124504, Cpd. No. 18...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC1CCOCC1 |r| Show InChI InChI=1S/C26H32N6O2/c1-15-11-19(14-27)24-22(12-15)17(3)23(26-28-18(4)31-34-26)25(30-24)32-8-5-21(13-16(32)2)29-20-6-9-33-10-7-20/h11-12,16,20-21,29H,5-10,13H2,1-4H3/t16-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450938 (US10676469, Compound 182 | US11124504, Cpd. No. 18...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C25H30N6O2/c1-14-9-18(12-26)23-21(10-14)16(3)22(25-27-17(4)30-33-25)24(29-23)31-7-5-19(11-15(31)2)28-20-6-8-32-13-20/h9-10,15,19-20,28H,5-8,11,13H2,1-4H3/t15-,19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450939 (US10676469, Compound 183 | US11124504, Cpd. No. 18...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)N[C@@H]1CCOC1 |r| Show InChI InChI=1S/C25H30N6O2/c1-14-9-18(12-26)23-21(10-14)16(3)22(25-27-17(4)30-33-25)24(29-23)31-7-5-19(11-15(31)2)28-20-6-8-32-13-20/h9-10,15,19-20,28H,5-8,11,13H2,1-4H3/t15-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450946 (US10676469, Compound 190 | US11124504, Cpd. No. 19...) Show SMILES CCc1cc(Cl)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H34ClN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450947 (US10676469, Compound 191 | US11124504, Cpd. No. 19...) Show SMILES CCc1cc(Cl)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C25H32ClN5O2/c1-5-17-11-20-15(3)22(25-27-16(4)30-33-25)24(29-23(20)21(26)12-17)31-8-6-18(10-14(31)2)28-19-7-9-32-13-19/h11-12,14,18-19,28H,5-10,13H2,1-4H3/t14-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450950 (US10676469, Compound 213 | US11124504, Cpd. No. 21...) Show SMILES CCc1cc(C#N)c2nc(N3CC[C@H](C[C@H]3C)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H32N6O2/c1-5-18-11-19(13-27)24-22(12-18)16(3)23(26-28-17(4)31-34-26)25(30-24)32-8-6-20(10-15(32)2)29-21-7-9-33-14-21/h11-12,15,20-21,29H,5-10,14H2,1-4H3/t15-,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450952 (US10676469, Compound 215 | US11124504, Cpd. No. 21...) Show SMILES CCc1cc(C#N)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C27H34N6O2/c1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21/h13-14,16,21-22,30H,5-12H2,1-4H3/t16-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450932 (US10676469, Compound 172 | US10676469, Compound 17...) Show SMILES CCc1cc(F)c2nc(N3CC[C@@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H34FN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450959 (US10676469, Compound 243 | US11124504, Cpd. No. 24...) Show SMILES CCc1cc(F)c2nc(N3CC[C@H](C[C@@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H34FN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20+/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450964 (US10676469, Compound 246 | US11124504, Cpd. No. 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC[C@H]1CCCO1 |r| Show InChI InChI=1S/C26H32N6O2/c1-15-10-19(13-27)24-22(11-15)17(3)23(26-29-18(4)31-34-26)25(30-24)32-8-7-20(12-16(32)2)28-14-21-6-5-9-33-21/h10-11,16,20-21,28H,5-9,12,14H2,1-4H3/t16-,20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450965 (US10676469, Compound 247 | US11124504, Cpd. No. 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC[C@@H]1CCCO1 |r| Show InChI InChI=1S/C26H32N6O2/c1-15-10-19(13-27)24-22(11-15)17(3)23(26-29-18(4)31-34-26)25(30-24)32-8-7-20(12-16(32)2)28-14-21-6-5-9-33-21/h10-11,16,20-21,28H,5-9,12,14H2,1-4H3/t16-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450861 (US10676469, Compound 119 | US11124504, Cpd. No. 11...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(F)c2nc1N1CCC(CC1)N[C@@H]1CCCOC1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-14-11-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)12-14)30-8-6-17(7-9-30)27-18-5-4-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450862 (US10676469, Compound 120 | US11124504, Cpd. No. 12...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCCOC1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-14-11-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)12-14)30-8-6-17(7-9-30)27-18-5-4-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531908 (Btrx-335140 | CYM-53093 | US10676469, Compound 142...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 Show InChI InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531915 (CHEMBL4440683 | US10676469, Compound 144 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C25H32FN5O2/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19/h12-13,18-19,28H,4-11,14H2,1-3H3/t19-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531916 (CHEMBL4456582 | US10676469, Compound 145 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-4-16-11-19-14(2)21(24-26-15(3)29-32-24)23(28-22(19)20(25)12-16)30-8-5-17(6-9-30)27-18-7-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531919 (CHEMBL4549826 | US10676469, Compound 146 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-4-16-11-19-14(2)21(24-26-15(3)29-32-24)23(28-22(19)20(25)12-16)30-8-5-17(6-9-30)27-18-7-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531921 (CHEMBL4544914 | US10676469, Compound 148 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C25H32FN5O2/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19/h12-13,18-19,28H,4-11,14H2,1-3H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450886 (US10676469, Compound 157 | US11124504, Cpd. No. 15...) Show SMILES CCc1cc2c(C)c(-c3nc(C)no3)c(nc2c(F)c1F)N1CCC(CC1)N[C@H]1CCCOC1 |r| Show InChI InChI=1S/C25H31F2N5O2/c1-4-16-12-19-14(2)20(25-28-15(3)31-34-25)24(30-23(19)22(27)21(16)26)32-9-7-17(8-10-32)29-18-6-5-11-33-13-18/h12,17-18,29H,4-11,13H2,1-3H3/t18-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450901 (US10676469, Compound 195 | US11124504, Cpd. No. 19...) Show SMILES CCc1cc(F)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C25H32FN5O2/c1-5-17-11-20-15(3)22(25-27-16(4)30-33-25)24(29-23(20)21(26)12-17)31-8-6-18(10-14(31)2)28-19-7-9-32-13-19/h11-12,14,18-19,28H,5-10,13H2,1-4H3/t14-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450828 (US10676469, Compound 86 | US11124504, Cpd. No. 86) Show SMILES CCc1cc(Cl)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C25H32ClN5O2/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19/h12-13,18-19,28H,4-11,14H2,1-3H3/t19-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450831 (US10676469, Compound 89 | US11124504, Cpd. No. 89) Show SMILES CCc1cc(C#N)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-4-17-11-18(13-26)23-21(12-17)15(2)22(25-27-16(3)30-33-25)24(29-23)31-8-5-19(6-9-31)28-20-7-10-32-14-20/h11-12,19-20,28H,4-10,14H2,1-3H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450832 (US10676469, Compound 90 | US11124504, Cpd. No. 90) Show SMILES CCc1cc(C#N)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C25H30N6O2/c1-3-17-11-18-13-22(25-27-16(2)30-33-25)24(29-23(18)19(12-17)14-26)31-8-6-20(7-9-31)28-21-5-4-10-32-15-21/h11-13,20-21,28H,3-10,15H2,1-2H3/t21-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450833 (US10676469, Compound 91 | US11124504, Cpd. No. 91) Show SMILES CCc1cc(C#N)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H32N6O2/c1-4-18-12-19(14-27)24-22(13-18)16(2)23(26-28-17(3)31-34-26)25(30-24)32-9-7-20(8-10-32)29-21-6-5-11-33-15-21/h12-13,20-21,29H,4-11,15H2,1-3H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450841 (US10676469, Compound 99 | US11124504, Cpd. No. 99) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)NC1CCOCC1 Show InChI InChI=1S/C25H31F2N5O2/c1-15-20-13-17(3-8-26)14-21(27)23(20)30-24(22(15)25-28-16(2)31-34-25)32-9-4-18(5-10-32)29-19-6-11-33-12-7-19/h13-14,18-19,29H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450842 (US10676469, Compound 100 | US11124504, Cpd. No. 10...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCCOC1 |r| Show InChI InChI=1S/C25H31F2N5O2/c1-15-20-12-17(5-8-26)13-21(27)23(20)30-24(22(15)25-28-16(2)31-34-25)32-9-6-18(7-10-32)29-19-4-3-11-33-14-19/h12-13,18-19,29H,3-11,14H2,1-2H3/t19-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450843 (US10676469, Compound 101 | US11124504, Cpd. No. 10...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H29F2N5O2/c1-14-19-11-16(3-7-25)12-20(26)22(19)29-23(21(14)24-27-15(2)30-33-24)31-8-4-17(5-9-31)28-18-6-10-32-13-18/h11-12,17-18,28H,3-10,13H2,1-2H3/t18-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450854 (US10676469, Compound 112 | US11124504, Cpd. No. 11...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(C#N)c2nc1N1CCC(CC1)N[C@@H]1CCCOC1 |r| Show InChI InChI=1S/C26H29F3N6O2/c1-15-21-11-17(12-26(27,28)29)10-18(13-30)23(21)33-24(22(15)25-31-16(2)34-37-25)35-7-5-19(6-8-35)32-20-4-3-9-36-14-20/h10-11,19-20,32H,3-9,12,14H2,1-2H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450936 (US10676469, Compound 176 | US11124504, Cpd. No. 17...) Show SMILES C[C@@H]1C[C@H](CCN1c1nc2c(Cl)cc(C)cc2c(C)c1-c1nc(C)no1)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H30ClN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450931 (US10676469, Compound 166 | US11124504, Cpd. No. 16...) Show SMILES COc1cc(F)c2nc(N3CCC(CC3)NCC3COC3)c(-c3nc(C)no3)c(C)c2c1 Show InChI InChI=1S/C23H28FN5O3/c1-13-18-8-17(30-3)9-19(24)21(18)27-22(20(13)23-26-14(2)28-32-23)29-6-4-16(5-7-29)25-10-15-11-31-12-15/h8-9,15-16,25H,4-7,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450932 (US10676469, Compound 172 | US10676469, Compound 17...) Show SMILES CCc1cc(F)c2nc(N3CC[C@@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H34FN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450935 (US10676469, Compound 175 | US11124504, Cpd. No. 17...) Show SMILES C[C@@H]1C[C@H](CCN1c1nc2c(Cl)cc(C)cc2c(C)c1-c1nc(C)no1)N[C@@H]1CCOC1 |r| Show InChI InChI=1S/C24H30ClN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM450937 (US10676469, Compound 181 | US11124504, Cpd. No. 18...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC1CCOCC1 |r| Show InChI InChI=1S/C26H32N6O2/c1-15-11-19(14-27)24-22(12-15)17(3)23(26-28-18(4)31-34-26)25(30-24)32-8-5-21(13-16(32)2)29-20-6-9-33-10-7-20/h11-12,16,20-21,29H,5-10,13H2,1-4H3/t16-,21-/m1/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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The purpose of this assay is to confirm the potency and selectivity of compounds synthesized to be OPRK1 Antagonists. This assay monitors the OPRMu1 ...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450914 (US10676469, Compound 210 | US11124504, Cpd. No. 21...) Show SMILES CC(C)c1cc(F)c2nc(N3CC[C@H](C[C@H]3C)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H34FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3/t15-,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450948 (US10676469, Compound 211 | US11124504, Cpd. No. 21...) Show SMILES CC(C)c1cc(F)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C27H36FN5O2/c1-15(2)19-13-22-17(4)24(27-29-18(5)32-35-27)26(31-25(22)23(28)14-19)33-9-6-21(12-16(33)3)30-20-7-10-34-11-8-20/h13-16,20-21,30H,6-12H2,1-5H3/t16-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450951 (US10676469, Compound 214 | US11124504, Cpd. No. 21...) Show SMILES CCc1cc(C#N)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C26H32N6O2/c1-5-18-11-19(13-27)24-22(12-18)16(3)23(26-28-17(4)31-34-26)25(30-24)32-8-6-20(10-15(32)2)29-21-7-9-33-14-21/h11-12,15,20-21,29H,5-10,14H2,1-4H3/t15-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450819 (US10676469, Compound 228 | US10676469, Compound 34...) Show SMILES COc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C23H28FN5O3/c1-13-18-10-17(30-3)11-19(24)21(18)27-22(20(13)23-25-14(2)28-32-23)29-7-4-15(5-8-29)26-16-6-9-31-12-16/h10-11,15-16,26H,4-9,12H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450954 (US10676469, Compound 236a | US11124504, Cpd. No. 2...) Show SMILES COc1cc(F)c2nc(N3CC[C@@H](C[C@H]3C)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C24H30FN5O3/c1-13-9-16(27-17-6-8-32-12-17)5-7-30(13)23-21(24-26-15(3)29-33-24)14(2)19-10-18(31-4)11-20(25)22(19)28-23/h10-11,13,16-17,27H,5-9,12H2,1-4H3/t13-,16+,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450955 (US10676469, Compound 236b | US11124504, Cpd. No. 2...) Show SMILES COc1cc(F)c2nc(N3CC[C@H](C[C@@H]3C)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C24H30FN5O3/c1-13-9-16(27-17-6-8-32-12-17)5-7-30(13)23-21(24-26-15(3)29-33-24)14(2)19-10-18(31-4)11-20(25)22(19)28-23/h10-11,13,16-17,27H,5-9,12H2,1-4H3/t13-,16+,17+/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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450956 (US10676469, Compound 237a | US11124504, Cpd. No. 2...) Show SMILES COc1cc(F)c2nc(N3CC[C@@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C24H30FN5O3/c1-13-9-16(27-17-6-8-32-12-17)5-7-30(13)23-21(24-26-15(3)29-33-24)14(2)19-10-18(31-4)11-20(25)22(19)28-23/h10-11,13,16-17,27H,5-9,12H2,1-4H3/t13-,16+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450957 (US10676469, Compound 237b | US11124504, Cpd. No. 2...) Show SMILES COc1cc(F)c2nc(N3CC[C@H](C[C@@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| Show InChI InChI=1S/C24H30FN5O3/c1-13-9-16(27-17-6-8-32-12-17)5-7-30(13)23-21(24-26-15(3)29-33-24)14(2)19-10-18(31-4)11-20(25)22(19)28-23/h10-11,13,16-17,27H,5-9,12H2,1-4H3/t13-,16+,17-/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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450960 (US10676469, Compound 241 | US11124504, Cpd. No. 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(F)cc(C)cc2c(C)c1-c1nc(C)no1)N[C@@H]1CCOC1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450915 (US10676469, Compound 218 | US10676469, Compound 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(F)cc(C)cc2c(C)c1-c1nc(C)no1)NC1CCOCC1 |r| Show InChI InChI=1S/C25H32FN5O2/c1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18/h11-12,15,18-19,28H,5-10,13H2,1-4H3/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450962 (US10676469, Compound 248 | US11124504, Cpd. No. 24...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(C#N)c2nc1N1CC[C@@H](NC2CCOCC2)[C@@H](F)C1 |r| Show InChI InChI=1S/C25H29FN6O2/c1-14-10-17(12-27)23-19(11-14)15(2)22(25-28-16(3)31-34-25)24(30-23)32-7-4-21(20(26)13-32)29-18-5-8-33-9-6-18/h10-11,18,20-21,29H,4-9,13H2,1-3H3/t20-,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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450963 (US10676469, Compound 242 | US11124504, Cpd. No. 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(F)cc(C)cc2c(C)c1-c1nc(C)no1)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450966 (US10676469, Compound 245 | US11124504, Cpd. No. 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NCC1CCOCC1 |r| Show InChI InChI=1S/C27H34N6O2/c1-16-11-21(14-28)25-23(12-16)18(3)24(27-30-19(4)32-35-27)26(31-25)33-8-5-22(13-17(33)2)29-15-20-6-9-34-10-7-20/h11-12,17,20,22,29H,5-10,13,15H2,1-4H3/t17-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531913 (CHEMBL4584410 | US10676469, Compound 253 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1 Show InChI InChI=1S/C24H30FN5O2/c1-3-16-12-17-14-20(24-26-15(2)29-32-24)23(28-22(17)21(25)13-16)30-8-4-18(5-9-30)27-19-6-10-31-11-7-19/h12-14,18-19,27H,3-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531905 (CHEMBL4566736 | US10676469, Compound 251 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C23H28FN5O2/c1-3-15-10-16-12-19(23-25-14(2)28-31-23)22(27-21(16)20(24)11-15)29-7-4-17(5-8-29)26-18-6-9-30-13-18/h10-12,17-18,26H,3-9,13H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...				US Patent US10676469 (2020) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair

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