Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 9863   

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))	BDBM494092 (US10988481, Compound 9) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCCc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494110 (US10988481, Compound 11) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494139 (US10988481, Compound 14) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2cc[nH]c2c1)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494197 (US10988481, Compound 17) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494208 (US10988481, Compound 18) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCCc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494104 (US10988481, Compound 10) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494161 (US10988481, Compound 15) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12)C1CC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494110 (US10988481, Compound 11) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12)C1CC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494208 (US10988481, Compound 18) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCCc1c[nH]c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494073 (US10988481, Compound 6) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494127 (US10988481, Compound 12) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2[nH]ccc12)C1CC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494166 (US10988481, Compound 16) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1c[nH]c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494139 (US10988481, Compound 14) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2cc[nH]c2c1)C1CC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494137 (US10988481, Compound 13) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2[nH]ccc2c1)C1CC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494003 (US10988481, Compound 3) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2[nH]ccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.264	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494104 (US10988481, Compound 10) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1)C1CC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM493969 (US10988481, Compound 2) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494092 (US10988481, Compound 9) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCCc1c[nH]c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank US Patent	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM493968 (US10988481, Compound 1) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494197 (US10988481, Compound 17) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.387	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494043 (US10988481, Compound 5) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2cc[nH]c2c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494091 (US10988481, Compound 8) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494137 (US10988481, Compound 13) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2[nH]ccc2c1)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.512	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494161 (US10988481, Compound 15) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494004 (US10988481, Compound 4) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2[nH]ccc2c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.763	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM494088 (US10988481, Compound 7) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)Cc1c[nH]c2ccccc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.837	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM493968 (US10988481, Compound 1) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.926	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494166 (US10988481, Compound 16) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.947	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM493969 (US10988481, Compound 2) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.984	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM493967 (US10988481, Compound NAQ) Show SMILES CCC(O)[C@@H](C)[C@H]1C=CN(C=C1C(N)=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |c:7,10| Show InChI InChI=1S/C26H39N7O15P2/c1-3-14(34)11(2)12-4-5-32(6-13(12)23(28)39)25-20(37)18(35)15(46-25)7-44-49(40,41)48-50(42,43)45-8-16-19(36)21(38)26(47-16)33-10-31-17-22(27)29-9-30-24(17)33/h4-6,9-12,14-16,18-21,25-26,34-38H,3,7-8H2,1-2H3,(H2,28,39)(H,40,41)(H,42,43)(H2,27,29,30)/t11-,12+,14?,15+,16+,18+,19+,20+,21+,25+,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM493967 (US10988481, Compound NAQ) Show SMILES CCC(O)[C@@H](C)[C@H]1C=CN(C=C1C(N)=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |c:7,10| Show InChI InChI=1S/C26H39N7O15P2/c1-3-14(34)11(2)12-4-5-32(6-13(12)23(28)39)25-20(37)18(35)15(46-25)7-44-49(40,41)48-50(42,43)45-8-16-19(36)21(38)26(47-16)33-10-31-17-22(27)29-9-30-24(17)33/h4-6,9-12,14-16,18-21,25-26,34-38H,3,7-8H2,1-2H3,(H2,28,39)(H,40,41)(H,42,43)(H2,27,29,30)/t11-,12+,14?,15+,16+,18+,19+,20+,21+,25+,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494091 (US10988481, Compound 8) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank US Patent	1.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank US Patent	1.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494003 (US10988481, Compound 3) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM494104 (US10988481, Compound 10) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2[nH]1)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494043 (US10988481, Compound 5) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2cc[nH]c2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494073 (US10988481, Compound 6) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494127 (US10988481, Compound 12) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2[nH]ccc12)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494088 (US10988481, Compound 7) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)Cc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM494004 (US10988481, Compound 4) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ccc2[nH]ccc2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM494139 (US10988481, Compound 14) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2cc[nH]c2c1)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM494092 (US10988481, Compound 9) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCCc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM494110 (US10988481, Compound 11) Show SMILES Oc1ccc2C[C@H]3N(CC[C@@]45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12)C1CC1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM494088 (US10988481, Compound 7) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)Cc1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM494003 (US10988481, Compound 3) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM493969 (US10988481, Compound 2) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1c[nH]c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM494073 (US10988481, Compound 6) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2cc[nH]c12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University US Patent					Assay Description The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...				US Patent US10988481 (2021) BindingDB Entry DOI: 10.7270/Q2F76GP3
					More data for this Ligand-Target Pair

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