Compile Data Set for Download or QSAR

Found 265 hits Enz. Inhib. hit(s) with all data for entry = 10932   

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))	BDBM579543 (US11484525, Compound DD-144-ANTAGONIST-Covalent) Show SMILES CN(C)[C@H](CNC(=O)NCCN1C(=O)C=CC1=O)Cc1c(C)cc(O)cc1C |r,c:14| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579486 (US11484525, Compound Naloxone) Show SMILES Oc1ccc2C[C@H]3N(CC=C)[C]45=CC(=O)[C@@H]6Oc1c2[C@]6(C4)[C@]35O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579540 (US11484525, Compound DD-120-D1-covalent-compound) Show SMILES CN(C)[C@H](CNC(=O)NCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:14| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579486 (US11484525, Compound Naloxone) Show SMILES Oc1ccc2C[C@H]3N(CC=C)[C]45=CC(=O)[C@@H]6Oc1c2[C@]6(C4)[C@]35O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579538 (US11484525, Compound BD-131LR) Show SMILES CC(Cc1ccsc1)NC(=O)NC[C@H](Cc1c(C)cc(O)cc1C)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579515 (US11484525, Compound DD-88B-S) Show SMILES CC[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579541 (US11484525, Compound DD-138) Show SMILES CN(C)[C@H](CNC(=O)NCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:15| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579544 (US11484525, Compound DD-158) Show SMILES C[C@@H](CN1C(=O)C=CC1=O)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r,c:6| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579542 (US11484525, Compound DD-139) Show SMILES CN(C)[C@H](CNC(=O)NCCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:16| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579537 (US11484525, Compound DD-34L-ANTAGONIST) Show SMILES CN(C)[C@H](CNC(=O)NCCc1ccsc1)Cc1c(C)cc(O)cc1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579539 (US11484525, Compound BD-131LS) Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1c(C)cc(O)cc1C)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579527 (US11484525, Compound DD-57L) Show SMILES CN(C)[C@H](CNC(=O)NC1Cc2ccccc2C1)Cc1ccc(O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579522 (US11484525, Compound DD-63L-LB-S) Show SMILES C[C@@H](Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579539 (US11484525, Compound BD-131LS) Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1c(C)cc(O)cc1C)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579538 (US11484525, Compound BD-131LR) Show SMILES CC(Cc1ccsc1)NC(=O)NC[C@H](Cc1c(C)cc(O)cc1C)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579520 (US11484525, Compound DD-63L-LA-R | US11484525, Com...) Show SMILES CC(Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM579538 (US11484525, Compound BD-131LR) Show SMILES CC(Cc1ccsc1)NC(=O)NC[C@H](Cc1c(C)cc(O)cc1C)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50518036 (CHEMBL4467777 | US11484525, Compound BD-122LS-PZM2...) Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579543 (US11484525, Compound DD-144-ANTAGONIST-Covalent) Show SMILES CN(C)[C@H](CNC(=O)NCCN1C(=O)C=CC1=O)Cc1c(C)cc(O)cc1C |r,c:14| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579520 (US11484525, Compound DD-63L-LA-R | US11484525, Com...) Show SMILES CC(Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579522 (US11484525, Compound DD-63L-LB-S) Show SMILES C[C@@H](Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579557 (US11484525, Compound DD198) Show SMILES COc1ccccc1CCNC(=O)NCC(Cc1ccc(O)cc1)N(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579486 (US11484525, Compound Naloxone) Show SMILES Oc1ccc2C[C@H]3N(CC=C)[C]45=CC(=O)[C@@H]6Oc1c2[C@]6(C4)[C@]35O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579533 (US11484525, Compound DD-46L) Show SMILES CN(C)[C@H](CNC(=O)NC(C)(C)Cc1ccsc1)Cc1cccc(O)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579562 (US11484525, Compound DDLM-15) Show SMILES CN(C)C(CNC(=O)NCCc1ccc(F)cc1)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579537 (US11484525, Compound DD-34L-ANTAGONIST) Show SMILES CN(C)[C@H](CNC(=O)NCCc1ccsc1)Cc1c(C)cc(O)cc1C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM50493818 (Oliceridine | TRV-130 | US11124523, Comparative Co...) Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579503 (US11484525, Compound DD-81) Show SMILES CN(C)C(CNC(=S)NCCc1ccsc1)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579485 (US11484525, Compound Morphine) Show SMILES CN1[C@@H]2Cc3ccc(O)c4O[C@H]5[C@@H](O)C=[C]11C[C@]5([C@H]21)c34 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579533 (US11484525, Compound DD-46L) Show SMILES CN(C)[C@H](CNC(=O)NC(C)(C)Cc1ccsc1)Cc1cccc(O)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579546 (US11484525, Compound DD-159) Show SMILES CN(C)[C@H](CNC(=O)NCCc1cn(CCSSCCN=[N+]=[N-])nn1)Cc1ccc(O)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579532 (US11484525, Compound DD-47LS) Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1cccc(O)c1)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579523 (US11484525, Compound DD-53-LS) Show SMILES C[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579561 (US11484525, Compound DDLM-10) Show SMILES CN(C)C(CNC(=O)NCCc1cccc(F)c1)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579519 (US11484525, Compound DD-61L-B-S) Show SMILES C[C@@H](Cc1ccccc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM50518036 (CHEMBL4467777 | US11484525, Compound BD-122LS-PZM2...) Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579528 (US11484525, Compound DD-32D | US11484525, Compound...) Show SMILES CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579523 (US11484525, Compound DD-53-LS) Show SMILES C[C@H](NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579515 (US11484525, Compound DD-88B-S) Show SMILES CC[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579519 (US11484525, Compound DD-61L-B-S) Show SMILES C[C@@H](Cc1ccccc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579510 (US11484525, Compound BD-122DR | US11484525, Compou...) Show SMILES CC(Cc1ccsc1)NC(=O)NCC(Cc1ccc(O)cc1)N(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM449138 (US10702498, Compound 12 | US11484525, Compound 12) Show SMILES C[C@H](Cc1ccsc1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C |r| Show InChI InChI=1S/C19H27N3OS/c1-15(11-17-9-10-24-14-17)21-19(23)20-13-18(22(2)3)12-16-7-5-4-6-8-16/h4-10,14-15,18H,11-13H2,1-3H3,(H2,20,21,23)/p+1/t15-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579520 (US11484525, Compound DD-63L-LA-R | US11484525, Com...) Show SMILES CC(Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579501 (US11484525, Compound DD-15 | US11484525, Compound ...) Show SMILES CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579560 (US11484525, Compound DDLM-08) Show SMILES CN(C)C(CNC(=O)NCCc1ccccc1F)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM579520 (US11484525, Compound DD-63L-LA-R | US11484525, Com...) Show SMILES CC(Cc1csc2ccccc12)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579516 (US11484525, Compound DD-90) Show SMILES CN(C)[C@H](CNC(=O)NCCc1ccccc1)Cc1ccc(O)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Mu-type opioid receptor [N127C] (Homo sapiens (Human))	BDBM579530 (US11484525, Compound DD-33D | US11484525, Compound...) Show SMILES CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccc(O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM579528 (US11484525, Compound DD-32D | US11484525, Compound...) Show SMILES CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JQ14V2
					More data for this Ligand-Target Pair

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