Compile Data Set for Download or QSAR

Found 5982 hits with Last Name = 'pick' and Initial = 'j'   

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
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261437 (CHEMBL3359669) Show SMILES OC[C@H]1N\C(=N/Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H18N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h1-5,9-12,16-19H,6-7H2,(H,14,15)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261417 (CHEMBL3359677) Show SMILES OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N2O4/c18-9-11-12(19)13(20)14(21)15(17-11)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-14,18-21H,4,7-9H2,(H,16,17)/t11-,12+,13+,14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM50140062 (CHEMBL3359672) Show SMILES Cc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C14H20N2O4/c1-8-2-4-9(5-3-8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...				Bioorg Med Chem 24: 661-71 (2016) Article DOI: 10.1016/j.bmc.2015.12.034 BindingDB Entry DOI: 10.7270/Q20P11WZ
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50140062 (CHEMBL3359672) Show SMILES Cc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C14H20N2O4/c1-8-2-4-9(5-3-8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261421 (CHEMBL3359681) Show SMILES OC[C@H]1N\C(=N/CC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H24N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h8-12,16-19H,1-7H2,(H,14,15)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261436 (CHEMBL3359671) Show SMILES Cc1cccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C14H20N2O4/c1-8-3-2-4-9(5-8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261435 (CHEMBL3359666) Show SMILES CC(C)(C)c1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C17H26N2O4/c1-17(2,3)11-6-4-10(5-7-11)8-18-16-15(23)14(22)13(21)12(9-20)19-16/h4-7,12-15,20-23H,8-9H2,1-3H3,(H,18,19)/t12-,13+,14+,15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261419 (CHEMBL3359674) Show SMILES CCCCCCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H26N2O4/c1-2-3-4-5-6-7-14-13-12(19)11(18)10(17)9(8-16)15-13/h9-12,16-19H,2-8H2,1H3,(H,14,15)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261438 (CHEMBL3359122) Show SMILES COc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C14H20N2O5/c1-21-9-4-2-8(3-5-9)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261434 (CHEMBL3359668) Show SMILES OC[C@H]1N\C(=N/Cc2cccc(F)c2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H17FN2O4/c14-8-3-1-2-7(4-8)5-15-13-12(20)11(19)10(18)9(6-17)16-13/h1-4,9-12,17-20H,5-6H2,(H,15,16)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261423 (CHEMBL3359123) Show SMILES OC[C@H]1N\C(=N/Cc2ccc(cc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H17F3N2O4/c15-14(16,17)8-3-1-7(2-4-8)5-18-13-12(23)11(22)10(21)9(6-20)19-13/h1-4,9-12,20-23H,5-6H2,(H,18,19)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261442 (CHEMBL3359682) Show SMILES OC[C@H]1N\C(=N/CC2CCCCCC2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H26N2O4/c17-8-10-11(18)12(19)13(20)14(16-10)15-7-9-5-3-1-2-4-6-9/h9-13,17-20H,1-8H2,(H,15,16)/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261439 (CHEMBL3815031) Show SMILES CCCCC(CC)CNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r,t:9| Show InChI InChI=1S/C14H28N2O4/c1-3-5-6-9(4-2)7-15-14-13(20)12(19)11(18)10(8-17)16-14/h9-13,17-20H,3-8H2,1-2H3,(H,15,16)/t9?,10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261433 (CHEMBL3359124) Show SMILES OC[C@H]1N\C(=N/Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H17FN2O4/c14-8-3-1-7(2-4-8)5-15-13-12(20)11(19)10(18)9(6-17)16-13/h1-4,9-12,17-20H,5-6H2,(H,15,16)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261444 (CHEMBL3359670) Show SMILES Cc1ccccc1C\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H20N2O4/c1-8-4-2-3-5-9(8)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261443 (CHEMBL3359667) Show SMILES OC[C@H]1N\C(=N/Cc2ccccc2F)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H17FN2O4/c14-8-4-2-1-3-7(8)5-15-13-12(20)11(19)10(18)9(6-17)16-13/h1-4,9-12,17-20H,5-6H2,(H,15,16)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261418 (CHEMBL4091969) Show SMILES CCCCCCCCCCCNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r,t:12| Show InChI InChI=1S/C17H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-18-17-16(23)15(22)14(21)13(12-20)19-17/h13-16,20-23H,2-12H2,1H3,(H,18,19)/t13-,14+,15+,16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261416 (CHEMBL3359678) Show SMILES OC[C@H]1N\C(=N/C2CC2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H16N2O4/c12-3-5-6(13)7(14)8(15)9(11-5)10-4-1-2-4/h4-8,12-15H,1-3H2,(H,10,11)/t5-,6+,7+,8-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261420 (CHEMBL3359673) Show SMILES CCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H18N2O4/c1-2-3-10-9-8(15)7(14)6(13)5(4-12)11-9/h5-8,12-15H,2-4H2,1H3,(H,10,11)/t5-,6+,7+,8-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261422 (CHEMBL3359680) Show SMILES OC[C@H]1N\C(=N/CC2CC2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H18N2O4/c13-4-6-7(14)8(15)9(16)10(12-6)11-3-5-1-2-5/h5-9,13-16H,1-4H2,(H,11,12)/t6-,7+,8+,9-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50140061 (CHEMBL3752112) Show SMILES Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1 |r,t:7| Show InChI InChI=1S/C14H20N2O3/c1-9-2-4-10(5-3-9)7-15-13-6-12(18)14(19)11(8-17)16-13/h2-5,11-12,14,17-19H,6-8H2,1H3,(H,15,16)/t11-,12-,14+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492642 (CHEMBL2409224) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H91N15O13/c1-36(2)31-47(74-57(85)48(33-38-13-5-4-6-14-38)70-51(79)35-68-52(80)37(3)69-53(81)43(64)32-39-19-23-41(77)24-20-39)56(84)72-45(17-11-29-67-61(65)66)54(82)71-44(15-7-9-27-62)55(83)75-49(34-40-21-25-42(78)26-22-40)59(87)76-30-12-18-50(76)58(86)73-46(60(88)89)16-8-10-28-63/h4-6,13-14,19-26,36-37,43-50,77-78H,7-12,15-18,27-35,62-64H2,1-3H3,(H,68,80)(H,69,81)(H,70,79)(H,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,83)(H,88,89)(H4,65,66,67)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM50140061 (CHEMBL3752112) Show SMILES Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1 |r,t:7| Show InChI InChI=1S/C14H20N2O3/c1-9-2-4-10(5-3-9)7-15-13-6-12(18)14(19)11(8-17)16-13/h2-5,11-12,14,17-19H,6-8H2,1H3,(H,15,16)/t11-,12-,14+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spect...				Bioorg Med Chem 24: 661-71 (2016) Article DOI: 10.1016/j.bmc.2015.12.034 BindingDB Entry DOI: 10.7270/Q20P11WZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492645 (CHEMBL2409222) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492643 (CHEMBL2409225) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H90IN15O12/c1-36(2)31-47(75-57(85)48(33-38-13-5-4-6-14-38)71-51(79)35-69-52(80)37(3)70-53(81)43(65)32-39-21-25-42(78)26-22-39)56(84)73-45(17-11-29-68-61(66)67)54(82)72-44(15-7-9-27-63)55(83)76-49(34-40-19-23-41(62)24-20-40)59(87)77-30-12-18-50(77)58(86)74-46(60(88)89)16-8-10-28-64/h4-6,13-14,19-26,36-37,43-50,78H,7-12,15-18,27-35,63-65H2,1-3H3,(H,69,80)(H,70,81)(H,71,79)(H,72,82)(H,73,84)(H,74,86)(H,75,85)(H,76,83)(H,88,89)(H4,66,67,68)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50261415 (CHEMBL3359679) Show SMILES OC[C@H]1N\C(=N/C2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H22N2O4/c15-6-8-9(16)10(17)11(18)12(14-8)13-7-4-2-1-3-5-7/h7-11,15-18H,1-6H2,(H,13,14)/t8-,9+,10+,11-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492645 (CHEMBL2409222) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492644 (CHEMBL2409223) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H88IN15O12/c1-36(2)30-46(74-56(84)47(32-37-12-4-3-5-13-37)70-51(79)35-68-50(78)34-69-52(80)42(64)31-38-20-24-41(77)25-21-38)55(83)72-44(16-10-28-67-60(65)66)53(81)71-43(14-6-8-26-62)54(82)75-48(33-39-18-22-40(61)23-19-39)58(86)76-29-11-17-49(76)57(85)73-45(59(87)88)15-7-9-27-63/h3-5,12-13,18-25,36,42-49,77H,6-11,14-17,26-35,62-64H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,65,66,67)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492644 (CHEMBL2409223) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H88IN15O12/c1-36(2)30-46(74-56(84)47(32-37-12-4-3-5-13-37)70-51(79)35-68-50(78)34-69-52(80)42(64)31-38-20-24-41(77)25-21-38)55(83)72-44(16-10-28-67-60(65)66)53(81)71-43(14-6-8-26-62)54(82)75-48(33-39-18-22-40(61)23-19-39)58(86)76-29-11-17-49(76)57(85)73-45(59(87)88)15-7-9-27-63/h3-5,12-13,18-25,36,42-49,77H,6-11,14-17,26-35,62-64H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,65,66,67)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511373 (CHEMBL4571548) Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511385 (CHEMBL4534959) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492643 (CHEMBL2409225) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H90IN15O12/c1-36(2)31-47(75-57(85)48(33-38-13-5-4-6-14-38)71-51(79)35-69-52(80)37(3)70-53(81)43(65)32-39-21-25-42(78)26-22-39)56(84)73-45(17-11-29-68-61(66)67)54(82)72-44(15-7-9-27-63)55(83)76-49(34-40-19-23-41(62)24-20-40)59(87)77-30-12-18-50(77)58(86)74-46(60(88)89)16-8-10-28-64/h4-6,13-14,19-26,36-37,43-50,78H,7-12,15-18,27-35,63-65H2,1-3H3,(H,69,80)(H,70,81)(H,71,79)(H,72,82)(H,73,84)(H,74,86)(H,75,85)(H,76,83)(H,88,89)(H4,66,67,68)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492645 (CHEMBL2409222) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511383 (CHEMBL4531680) Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511400 (CHEMBL4535040) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511397 (CHEMBL4452939) Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492642 (CHEMBL2409224) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H91N15O13/c1-36(2)31-47(74-57(85)48(33-38-13-5-4-6-14-38)70-51(79)35-68-52(80)37(3)69-53(81)43(64)32-39-19-23-41(77)24-20-39)56(84)72-45(17-11-29-67-61(65)66)54(82)71-44(15-7-9-27-62)55(83)75-49(34-40-21-25-42(78)26-22-40)59(87)76-30-12-18-50(76)58(86)73-46(60(88)89)16-8-10-28-63/h4-6,13-14,19-26,36-37,43-50,77-78H,7-12,15-18,27-35,62-64H2,1-3H3,(H,68,80)(H,69,81)(H,70,79)(H,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,83)(H,88,89)(H4,65,66,67)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511380 (CHEMBL4452360) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511394 (CHEMBL4552310) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H22N4O3S/c1-2-10-28(26,27)24-16-5-3-4-14(11-16)15-8-9-17-18(12-15)22-23-19(17)21-20(25)13-6-7-13/h3-5,8-9,11-13,24H,2,6-7,10H2,1H3,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492642 (CHEMBL2409224) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H91N15O13/c1-36(2)31-47(74-57(85)48(33-38-13-5-4-6-14-38)70-51(79)35-68-52(80)37(3)69-53(81)43(64)32-39-19-23-41(77)24-20-39)56(84)72-45(17-11-29-67-61(65)66)54(82)71-44(15-7-9-27-62)55(83)75-49(34-40-21-25-42(78)26-22-40)59(87)76-30-12-18-50(76)58(86)73-46(60(88)89)16-8-10-28-63/h4-6,13-14,19-26,36-37,43-50,77-78H,7-12,15-18,27-35,62-64H2,1-3H3,(H,68,80)(H,69,81)(H,70,79)(H,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,83)(H,88,89)(H4,65,66,67)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492644 (CHEMBL2409223) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H88IN15O12/c1-36(2)30-46(74-56(84)47(32-37-12-4-3-5-13-37)70-51(79)35-68-50(78)34-69-52(80)42(64)31-38-20-24-41(77)25-21-38)55(83)72-44(16-10-28-67-60(65)66)53(81)71-43(14-6-8-26-62)54(82)75-48(33-39-18-22-40(61)23-19-39)58(86)76-29-11-17-49(76)57(85)73-45(59(87)88)15-7-9-27-63/h3-5,12-13,18-25,36,42-49,77H,6-11,14-17,26-35,62-64H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,65,66,67)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492643 (CHEMBL2409225) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H90IN15O12/c1-36(2)31-47(75-57(85)48(33-38-13-5-4-6-14-38)71-51(79)35-69-52(80)37(3)70-53(81)43(65)32-39-21-25-42(78)26-22-39)56(84)73-45(17-11-29-68-61(66)67)54(82)72-44(15-7-9-27-63)55(83)76-49(34-40-19-23-41(62)24-20-40)59(87)77-30-12-18-50(77)58(86)74-46(60(88)89)16-8-10-28-64/h4-6,13-14,19-26,36-37,43-50,78H,7-12,15-18,27-35,63-65H2,1-3H3,(H,69,80)(H,70,81)(H,71,79)(H,72,82)(H,73,84)(H,74,86)(H,75,85)(H,76,83)(H,88,89)(H4,66,67,68)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511373 (CHEMBL4571548) Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511385 (CHEMBL4534959) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511400 (CHEMBL4535040) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511397 (CHEMBL4452939) Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511380 (CHEMBL4452360) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511383 (CHEMBL4531680) Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair

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