Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'rognan' and Initial = 'd'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354644 (CHEMBL1834218) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354647 (CHEMBL1834244) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50266025 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354650 (CHEMBL1834247) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266025 ((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354649 (CHEMBL1834246) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)11-22(28)25(36)30-17(3)24(35)31-27(4)12-18-7-5-6-8-19(18)13-32(26(27)37)14-23(29)34/h5-10,17,22,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t17-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354651 (CHEMBL1834248) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354645 (CHEMBL1834219) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@H](C)c2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17-,22+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50189920 ((S)-2-amino-N-((S)-2-(2-(benzylamino)-2-oxoethyl)-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O |r| Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)29(37)33-27-14-22-10-6-7-11-23(22)17-34(30(27)38)18-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50354644 (CHEMBL1834218) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]Ile-deltorphin-2 from rat brain delta-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Fe(3+)-pyochelin receptor (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50444965 (CHEMBL3099904) Show SMILES CN1[C@H](SC[C@H]1C(O)=O)[C@H]1CSC(=N1)c1ccccc1O |r,c:13| Show InChI InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7242 CNRS-Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP				Bioorg Med Chem Lett 24: 132-5 (2013) Article DOI: 10.1016/j.bmcl.2013.11.054 BindingDB Entry DOI: 10.7270/Q2J38V1F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50354650 (CHEMBL1834247) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]Ile-deltorphin-2 from rat brain delta-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266060 ((S)-2-amino-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C32H35N5O4/c1-19-12-22(38)13-20(2)24(19)14-26(33)31(40)36-28-15-25-23-10-6-7-11-27(23)35-29(25)17-37(32(28)41)18-30(39)34-16-21-8-4-3-5-9-21/h3-13,26,28,35,38H,14-18,33H2,1-2H3,(H,34,39)(H,36,40)/t26-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354648 (CHEMBL1834245) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)11-22(28)25(36)30-17(3)24(35)31-27(4)12-18-7-5-6-8-19(18)13-32(26(27)37)14-23(29)34/h5-10,17,22,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t17-,22+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Fe(3+)-pyochelin receptor (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50444963 (CHEMBL3099907) Show SMILES CN1[C@@H](CSC1c1csc(n1)-c1ccc(O)cc1O)C(O)=O |r| Show InChI InChI=1S/C14H14N2O4S2/c1-16-10(14(19)20)6-22-13(16)9-5-21-12(15-9)8-3-2-7(17)4-11(8)18/h2-5,10,13,17-18H,6H2,1H3,(H,19,20)/t10-,13?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7242 CNRS-Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP				Bioorg Med Chem Lett 24: 132-5 (2013) Article DOI: 10.1016/j.bmcl.2013.11.054 BindingDB Entry DOI: 10.7270/Q2J38V1F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50266063 (2-((S)-4-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-d...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C27H32N4O5/c1-15-9-17(32)10-16(2)19(15)12-24(30(3)4)26(35)29-22-11-20-18-7-5-6-8-21(18)28-23(20)13-31(27(22)36)14-25(33)34/h5-10,22,24,28,32H,11-14H2,1-4H3,(H,29,35)(H,33,34)/t22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Fe(3+)-pyochelin receptor (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50444964 (CHEMBL3099905) Show SMILES CN1[C@@H](CS[C@@H]1c1csc(n1)-c1ccccc1O)C(O)=O |r| Show InChI InChI=1S/C14H14N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-6,10,13,17H,7H2,1H3,(H,18,19)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7242 CNRS-Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP				Bioorg Med Chem Lett 24: 132-5 (2013) Article DOI: 10.1016/j.bmcl.2013.11.054 BindingDB Entry DOI: 10.7270/Q2J38V1F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266026 ((S)-6-amino-2-((S)-4-((S)-2-amino-3-(4-hydroxy-2,6...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-29(36)32(41)38-30-18-25-12-6-7-13-26(25)21-39(34(30)43)31(14-8-9-15-35)33(42)37-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Fe(3+)-pyochelin receptor (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50444962 (CHEMBL3099909) Show SMILES CN1[C@@H](CSC1c1csc(n1)-c1ccc(N)cc1O)C(O)=O |r| Show InChI InChI=1S/C14H15N3O3S2/c1-17-10(14(19)20)6-22-13(17)9-5-21-12(16-9)8-3-2-7(15)4-11(8)18/h2-5,10,13,18H,6,15H2,1H3,(H,19,20)/t10-,13?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7242 CNRS-Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP				Bioorg Med Chem Lett 24: 132-5 (2013) Article DOI: 10.1016/j.bmcl.2013.11.054 BindingDB Entry DOI: 10.7270/Q2J38V1F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50189920 ((S)-2-amino-N-((S)-2-(2-(benzylamino)-2-oxoethyl)-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O |r| Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)29(37)33-27-14-22-10-6-7-11-23(22)17-34(30(27)38)18-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266056 ((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-((S...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CNC1=O |r| Show InChI InChI=1S/C21H25N3O3/c1-12-7-16(25)8-13(2)17(12)10-18(22)20(26)24-19-9-14-5-3-4-6-15(14)11-23-21(19)27/h3-8,18-19,25H,9-11,22H2,1-2H3,(H,23,27)(H,24,26)/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354646 (CHEMBL1834220) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1[C@H](C)c2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17-,22+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50266057 ((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphe...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CNC1=O |r| Show InChI InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(26(3)4)23(29)25-20-11-16-7-5-6-8-17(16)13-24-22(20)28/h5-10,20-21,27H,11-13H2,1-4H3,(H,24,28)(H,25,29)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50354647 (CHEMBL1834244) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1[C@@H](C)c2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-14-9-19(33)10-15(2)21(14)11-22(28)26(36)30-17(4)25(35)31-24-16(3)20-8-6-5-7-18(20)12-32(27(24)37)13-23(29)34/h5-10,16-17,22,24,33H,11-13,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t16-,17+,22-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]Ile-deltorphin-2 from rat brain delta-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369245 (CHEMBL4170392) Show SMILES COc1cc(\C=C\C(=O)c2ccc(cc2)C(C)C)ccc1O Show InChI InChI=1S/C19H20O3/c1-13(2)15-6-8-16(9-7-15)17(20)10-4-14-5-11-18(21)19(12-14)22-3/h4-13,21H,1-3H3/b10-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369246 (CHEMBL4160309) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C16H13BrO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369285 (CHEMBL4160346) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-5-4-11(17)9-13(12)18/h2-9,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266058 ((S)-2-amino-N-((S)-2-(2-(benzylamino)-2-oxoethyl)-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C32H35N5O4/c1-19-12-22(38)13-20(2)24(19)14-26(33)31(40)36-28-15-25-23-10-6-7-11-27(23)35-29(25)17-37(32(28)41)18-30(39)34-16-21-8-4-3-5-9-21/h3-13,26,28,35,38H,14-18,33H2,1-2H3,(H,34,39)(H,36,40)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369286 (CHEMBL4167574) Show SMILES COc1cc(\C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-9-11(17)4-5-13(12)18/h2-9,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50042947 (1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50354649 (CHEMBL1834246) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@]1(C)Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)11-22(28)25(36)30-17(3)24(35)31-27(4)12-18-7-5-6-8-19(18)13-32(26(27)37)14-23(29)34/h5-10,17,22,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,35)/t17-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]Ile-deltorphin-2 from rat brain delta-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266057 ((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphe...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CNC1=O |r| Show InChI InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(26(3)4)23(29)25-20-11-16-7-5-6-8-17(16)13-24-22(20)28/h5-10,20-21,27H,11-13H2,1-4H3,(H,24,28)(H,25,29)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369256 (CHEMBL4175451) Show SMILES COc1cc(\C=C\C(=O)c2c(Cl)cccc2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-15-9-10(5-7-13(15)19)6-8-14(20)16-11(17)3-2-4-12(16)18/h2-9,19H,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369250 (CHEMBL4168923) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2F)ccc1O Show InChI InChI=1S/C16H12ClFO3/c1-21-16-8-10(3-7-15(16)20)2-6-14(19)12-5-4-11(17)9-13(12)18/h2-9,20H,1H3/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369280 (CHEMBL4166275) Show SMILES COc1cc(\C=C\C(=O)c2ccccc2Cl)ccc1O Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(7-9-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-10,19H,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369248 (CHEMBL4163005) Show SMILES COc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O Show InChI InChI=1S/C17H13ClO3/c1-21-16-7-10(2-5-15(16)19)6-12-8-11-9-13(18)3-4-14(11)17(12)20/h2-7,9,19H,8H2,1H3/b12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369244 (CHEMBL4169628) Show SMILES COc1cc(ccc1O)C1CC(=NN1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C16H15ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-8,14,19-20H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369321 (CHEMBL4168220) Show SMILES COc1cc(\C=C\C(=O)c2ccc(I)cc2)ccc1O Show InChI InChI=1S/C16H13IO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266061 ((S)-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-3-oxo-1,...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C34H39N5O4/c1-21-14-24(40)15-22(2)26(21)17-31(38(3)4)33(42)37-29-16-27-25-12-8-9-13-28(25)36-30(27)19-39(34(29)43)20-32(41)35-18-23-10-6-5-7-11-23/h5-15,29,31,36,40H,16-20H2,1-4H3,(H,35,41)(H,37,42)/t29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50266060 ((S)-2-amino-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1Cc2c(CN(CC(=O)NCc3ccccc3)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C32H35N5O4/c1-19-12-22(38)13-20(2)24(19)14-26(33)31(40)36-28-15-25-23-10-6-7-11-27(23)35-29(25)17-37(32(28)41)18-30(39)34-16-21-8-4-3-5-9-21/h3-13,26,28,35,38H,14-18,33H2,1-2H3,(H,34,39)(H,36,40)/t26-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369330 (CHEMBL4160583) Show SMILES COc1cc(\C=C2/Oc3cc(Cl)ccc3C2=O)ccc1O Show InChI InChI=1S/C16H11ClO4/c1-20-14-6-9(2-5-12(14)18)7-15-16(19)11-4-3-10(17)8-13(11)21-15/h2-8,18H,1H3/b15-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50266059 (CHEMBL501023 | benzyl 2-((S)-4-((S)-2-amino-3-(4-h...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2c(CN(CC(=O)OCc3ccccc3)C1=O)[nH]c1ccccc21 |r| Show InChI InChI=1S/C32H34N4O5/c1-19-12-22(37)13-20(2)24(19)14-26(33)31(39)35-28-15-25-23-10-6-7-11-27(23)34-29(25)16-36(32(28)40)17-30(38)41-18-21-8-4-3-5-9-21/h3-13,26,28,34,37H,14-18,33H2,1-2H3,(H,35,39)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369279 (CHEMBL4166454) Show SMILES COc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369249 (CHEMBL4173832) Show SMILES COc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1O Show InChI InChI=1S/C17H16O3/c1-12-3-7-14(8-4-12)15(18)9-5-13-6-10-16(19)17(11-13)20-2/h3-11,19H,1-2H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50266026 ((S)-6-amino-2-((S)-4-((S)-2-amino-3-(4-hydroxy-2,6...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-29(36)32(41)38-30-18-25-12-6-7-13-26(25)21-39(34(30)43)31(14-8-9-15-35)33(42)37-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes				Bioorg Med Chem Lett 19: 433-7 (2008) Article DOI: 10.1016/j.bmcl.2008.11.051 BindingDB Entry DOI: 10.7270/Q2K64HZ7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50354651 (CHEMBL1834248) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]Ile-deltorphin-2 from rat brain delta-type opioid receptor by liquid scintillation counting				J Med Chem 54: 6538-47 (2011) Article DOI: 10.1021/jm2003574 BindingDB Entry DOI: 10.7270/Q24Q7VC1
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50042973 (1-(4-Chloro-phenyl)-3-(3,4-dihydroxy-phenyl)-prope...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O Show InChI InChI=1S/C15H11ClO3/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369292 (CHEMBL4175213) Show SMILES Cl.NCCOc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C17H16ClNO3/c18-14-5-3-13(4-6-14)15(20)7-1-12-2-8-16(21)17(11-12)22-10-9-19/h1-8,11,21H,9-10,19H2/b7-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369278 (CHEMBL4162605) Show SMILES COc1cc(\C=C2/COc3cc(Cl)ccc3C2=O)ccc1O Show InChI InChI=1S/C17H13ClO4/c1-21-16-7-10(2-5-14(16)19)6-11-9-22-15-8-12(18)3-4-13(15)17(11)20/h2-8,19H,9H2,1H3/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50369322 (CHEMBL4170951) Show SMILES COc1cc(\C=C\C(=O)c2cccc(Cl)c2Cl)ccc1O Show InChI InChI=1S/C16H12Cl2O3/c1-21-15-9-10(6-8-14(15)20)5-7-13(19)11-3-2-4-12(17)16(11)18/h2-9,20H,1H3/b7-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 express...				J Med Chem 61: 7671-7686 (2018) Article DOI: 10.1021/acs.jmedchem.8b00657 BindingDB Entry DOI: 10.7270/Q2QF8WDS
					More data for this Ligand-Target Pair

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