Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'kim' and Initial = 'ek'   

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))	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	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to human MOR				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					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	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					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	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531910 (CHEMBL4576339) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCCC[C@@H]3O)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C25H33N5O2/c1-3-17-8-9-21-18(14-17)15-20(25-26-16(2)29-32-25)24(28-21)30-12-10-19(11-13-30)27-22-6-4-5-7-23(22)31/h8-9,14-15,19,22-23,27,31H,3-7,10-13H2,1-2H3/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531909 (CHEMBL4523014) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@@H](C)C(C)C)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C24H33N5O/c1-6-18-7-8-22-19(13-18)14-21(24-26-17(5)28-30-24)23(27-22)29-11-9-20(10-12-29)25-16(4)15(2)3/h7-8,13-16,20,25H,6,9-12H2,1-5H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531911 (CHEMBL4459625) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C24H31N5O2/c1-3-17-6-7-22-18(13-17)14-21(24-25-16(2)28-31-24)23(27-22)29-10-8-19(9-11-29)26-20-5-4-12-30-15-20/h6-7,13-14,19-20,26H,3-5,8-12,15H2,1-2H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					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	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					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	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					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	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells at 10 uM by Qpatch clamp assay				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531907 (CHEMBL4583245 | US10676469, Compound 141 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-3-16-11-17-13-20(24-26-15(2)29-32-24)23(28-22(17)21(25)12-16)30-8-6-18(7-9-30)27-19-5-4-10-31-14-19/h11-13,18-19,27H,3-10,14H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156541 (US10118915, Compound 324 | US9682966, 324) Show SMILES CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 Show InChI InChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM159083 (US10118915, Compound 542 | US9682966, 542) Show SMILES Cc1noc(n1)-c1cc(C)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1 |r| Show InChI InChI=1S/C20H29N5O2/c1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(26)12-25)23-15-6-4-3-5-7-15/h10-11,15,17-18,23,26H,3-9,12H2,1-2H3/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156575 (US10118915, Compound 355 | US9682966, 355) Show SMILES CCc1ccc2nc(N3CCC(CC3)NCC(C)C)c(cc2c1)-c1nc(C)no1 Show InChI InChI=1S/C23H31N5O/c1-5-17-6-7-21-18(12-17)13-20(23-25-16(4)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-15(2)3/h6-7,12-13,15,19,24H,5,8-11,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531912 (CHEMBL4572131) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C24H31N5O2/c1-3-17-6-7-22-18(13-17)14-21(24-25-16(2)28-31-24)23(27-22)29-10-8-19(9-11-29)26-20-5-4-12-30-15-20/h6-7,13-14,19-20,26H,3-5,8-12,15H2,1-2H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531904 (CHEMBL4540091) Show SMILES CCc1ccc2nc(N3CCC(CC3)NCC3CC3)c(cc2c1)-c1nc(C)no1 Show InChI InChI=1S/C23H29N5O/c1-3-16-6-7-21-18(12-16)13-20(23-25-15(2)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-17-4-5-17/h6-7,12-13,17,19,24H,3-5,8-11,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine Prostaglandin G/H synthase 2.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531906 (CHEMBL4443303 | US11124504, Cpd. No. 253) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-3-16-11-17-13-20(24-26-15(2)29-32-24)23(28-22(17)21(25)12-16)30-8-6-18(7-9-30)27-19-5-4-10-31-14-19/h11-13,18-19,27H,3-10,14H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM157256 (US10118915, Compound 433 | US9682966, 433) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1 Show InChI InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					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	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531914 (CHEMBL4525666 | US10676469, Compound 252 | 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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156439 (US10118915, Compound 233 | US9682966, 233) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCOCC1 Show InChI InChI=1S/C23H29N5O2/c1-15-3-4-21-17(13-15)14-20(23-24-16(2)27-30-23)22(26-21)28-9-5-18(6-10-28)25-19-7-11-29-12-8-19/h3-4,13-14,18-19,25H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					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	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531920 (CHEMBL4434885 | US10676469, Compound A) Show SMILES CCc1ccc2nc(N3CCC(CC3)NCC3(C)COC3)c(cc2c1)-c1nc(C)no1 Show InChI InChI=1S/C24H31N5O2/c1-4-17-5-6-21-18(11-17)12-20(23-26-16(2)28-31-23)22(27-21)29-9-7-19(8-10-29)25-13-24(3)14-30-15-24/h5-6,11-12,19,25H,4,7-10,13-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156498 (US10118915, Compound 285 | US9682966, 285) Show SMILES CCc1ccc2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1 Show InChI InChI=1S/C24H31N5O2/c1-3-17-4-5-22-18(14-17)15-21(24-25-16(2)28-31-24)23(27-22)29-10-6-19(7-11-29)26-20-8-12-30-13-9-20/h4-5,14-15,19-20,26H,3,6-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531917 (CHEMBL4441250) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C23H29N5O2/c1-3-16-4-5-21-17(12-16)13-20(23-24-15(2)27-30-23)22(26-21)28-9-6-18(7-10-28)25-19-8-11-29-14-19/h4-5,12-13,18-19,25H,3,6-11,14H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531918 (CHEMBL4444292) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C23H29N5O2/c1-3-16-4-5-21-17(12-16)13-20(23-24-15(2)27-30-23)22(26-21)28-9-6-18(7-10-28)25-19-8-11-29-14-19/h4-5,12-13,18-19,25H,3,6-11,14H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) Show SMILES COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 |r| Show InChI InChI=1S/C18H26BrN3O3/c1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h9-10,13,15-16,21,23H,2-8,11H2,1H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM159083 (US10118915, Compound 542 | US9682966, 542) Show SMILES Cc1noc(n1)-c1cc(C)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1 |r| Show InChI InChI=1S/C20H29N5O2/c1-13-10-16(20-22-14(2)24-27-20)19(21-11-13)25-9-8-17(18(26)12-25)23-15-6-4-3-5-7-15/h10-11,15,17-18,23,26H,3-9,12H2,1-2H3/t17-,18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50006811 (2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...) Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O |w:8.8| Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine lipoxygenase-2.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM156439 (US10118915, Compound 233 | US9682966, 233) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCOCC1 Show InChI InChI=1S/C23H29N5O2/c1-15-3-4-21-17(13-15)14-20(23-24-16(2)27-30-23)22(26-21)28-9-5-18(6-10-28)25-19-7-11-29-12-8-19/h3-4,13-14,18-19,25H,5-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM156541 (US10118915, Compound 324 | US9682966, 324) Show SMILES CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 Show InChI InChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM156498 (US10118915, Compound 285 | US9682966, 285) Show SMILES CCc1ccc2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1 Show InChI InChI=1S/C24H31N5O2/c1-3-17-4-5-22-18(14-17)15-21(24-25-16(2)28-31-24)23(27-22)29-10-6-19(7-11-29)26-20-8-12-30-13-9-20/h4-5,14-15,19-20,26H,3,6-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50012149 (CHEMBL3264446 | US10118915, Compound 105 | US96829...) Show SMILES COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 |r| Show InChI InChI=1S/C18H26BrN3O3/c1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13/h9-10,13,15-16,21,23H,2-8,11H2,1H3/t15-,16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50145514 ((E)-1-Furan-2-yl-3-pyridin-2-yl-propenone | CHEMBL...) Show SMILES O=C(\C=C\c1ccccn1)c1ccco1 Show InChI InChI=1S/C12H9NO2/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-9H/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Yeungnam University Curated by ChEMBL					Assay Description Inhibitory activity against murine lipoxygenase-2.				Bioorg Med Chem Lett 14: 2559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.02.099 BindingDB Entry DOI: 10.7270/Q2VD7005
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50310255 (CHEMBL592228 | epicatechin-(4beta-6)-epicatechin-(...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4cc(O)c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38?,40-,41-,42-,43-,44-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012148 (CHEMBL3183148) Show SMILES CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O Show InChI InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50531910 (CHEMBL4576339) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCCC[C@@H]3O)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C25H33N5O2/c1-3-17-8-9-21-18(14-17)15-20(25-26-16(2)29-32-25)24(28-21)30-12-10-19(11-13-30)27-22-6-4-5-7-23(22)31/h8-9,14-15,19,22-23,27,31H,3-7,10-13H2,1-2H3/t22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	583	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301672 (3-[2-(4-{3-[4-(3-Methoxy-benzyl)-piperazine-1-carb...) Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4cccc(OC)c4)CC2)C3)c1 |TLB:46:20:27:23.24.25,17:20:27:23.24.25,17:20:27.22.23:25,THB:21:22:25:28.20.46,21:20:27.22.23:25,46:24:27:28.21.20| Show InChI InChI=1S/C39H45N3O6/c1-46-34-8-3-5-27(18-34)24-41-13-15-42(16-14-41)37(45)39-22-28-17-29(23-39)21-38(20-28,26-39)31-9-11-33(12-10-31)48-25-35(43)40-32-7-4-6-30(19-32)36(44)47-2/h3-12,18-19,28-29H,13-17,20-26H2,1-2H3,(H,40,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5376-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.127 BindingDB Entry DOI: 10.7270/Q200025P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM157256 (US10118915, Compound 433 | US9682966, 433) Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CC1 Show InChI InChI=1S/C22H27N5O/c1-14-3-6-20-17(11-14)12-19(22-24-15(2)26-28-22)21(25-20)27-9-7-18(8-10-27)23-13-16-4-5-16/h3,6,11-12,16,18,23H,4-5,7-10,13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	829	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301673 (3-[2-(4-{3-[4-(3-Methoxy-benzyl)-3,6-dihydro-2H-pi...) Show SMILES COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4ccc(OC)cc4)CC2)C3)c1 |TLB:46:20:27:23.24.25,17:20:27:23.24.25,17:20:27.22.23:25,THB:21:22:25:28.20.46,21:20:27.22.23:25,46:24:27:28.21.20| Show InChI InChI=1S/C39H45N3O6/c1-46-33-10-6-27(7-11-33)24-41-14-16-42(17-15-41)37(45)39-22-28-18-29(23-39)21-38(20-28,26-39)31-8-12-34(13-9-31)48-25-35(43)40-32-5-3-4-30(19-32)36(44)47-2/h3-13,19,28-29H,14-18,20-26H2,1-2H3,(H,40,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5376-9 (2009) Article DOI: 10.1016/j.bmcl.2009.07.127 BindingDB Entry DOI: 10.7270/Q200025P
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50531907 (CHEMBL4583245 | US10676469, Compound 141 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C24H30FN5O2/c1-3-16-11-17-13-20(24-26-15(2)29-32-24)23(28-22(17)21(25)12-16)30-8-6-18(7-9-30)27-19-5-4-10-31-14-19/h11-13,18-19,27H,3-10,14H2,1-2H3/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50531911 (CHEMBL4459625) Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(cc2c1)-c1nc(C)no1 |r| Show InChI InChI=1S/C24H31N5O2/c1-3-17-6-7-22-18(13-17)14-21(24-25-16(2)28-31-24)23(27-22)29-10-8-19(9-11-29)26-20-5-4-12-30-15-20/h6-7,13-14,19-20,26H,3-5,8-12,15H2,1-2H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...				J Med Chem 62: 1761-1780 (2019) Article DOI: 10.1021/acs.jmedchem.8b01679 BindingDB Entry DOI: 10.7270/Q2CV4N6Q
					More data for this Ligand-Target Pair

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