Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'bittman' and Initial = 'r'   

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 (Homo sapiens (Human))	BDBM50064519 (3-[(3R,4R)-3,4-Dimethyl-1-((S)-2-phenyl-cyclopropy...) Show SMILES C[C@H]1CN(CC2C[C@@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C23H29NO/c1-17-15-24(16-19-13-22(19)18-7-4-3-5-8-18)12-11-23(17,2)20-9-6-10-21(25)14-20/h3-10,14,17,19,22,25H,11-13,15-16H2,1-2H3/t17-,19?,22+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336606 (3-((1S,5R)-2-Cinnamyl-2-azabicyclo[3.3.1]nonan-5-y...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C\c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6+/t21-,23+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336611 (3-((1R,5S)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336603 (3-((1R,5S)-2-(((1'R,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23-,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336607 (3-((1R,5S)-2-Cinnamyl-2-azabicyclo[3.3.1]nonan-5-y...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C\c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6+/t21-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336613 (3-((1R,5S)-2-(((1'R,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336609 (3-((1R,5S)-2-((Z)-3-phenylallyl)-2-azabicyclo[3.3....) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C/c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6-/t21-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336602 (3-((1S,5R)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23-,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336608 (3-((1S,5R)-2-((Z)-3-phenylallyl)-2-azabicyclo[3.3....) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C/c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6-/t21-,23+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336610 (3-((1S,5R)-2-(((1'R,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336611 (3-((1R,5S)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336612 (3-((1S,5R)-2-(((1'S,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23+,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336608 (3-((1S,5R)-2-((Z)-3-phenylallyl)-2-azabicyclo[3.3....) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C/c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6-/t21-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336606 (3-((1S,5R)-2-Cinnamyl-2-azabicyclo[3.3.1]nonan-5-y...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C\c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6+/t21-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336606 (3-((1S,5R)-2-Cinnamyl-2-azabicyclo[3.3.1]nonan-5-y...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C\c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6+/t21-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336607 (3-((1R,5S)-2-Cinnamyl-2-azabicyclo[3.3.1]nonan-5-y...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C\c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6+/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336604 (3-((1S,5R)-2-(((1'R,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336611 (3-((1R,5S)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336612 (3-((1S,5R)-2-(((1'S,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336602 (3-((1S,5R)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336613 (3-((1R,5S)-2-(((1'R,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336603 (3-((1R,5S)-2-(((1'R,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336603 (3-((1R,5S)-2-(((1'R,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336607 (3-((1R,5S)-2-Cinnamyl-2-azabicyclo[3.3.1]nonan-5-y...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C\c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6+/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336604 (3-((1S,5R)-2-(((1'R,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23+,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336613 (3-((1R,5S)-2-(((1'R,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336602 (3-((1S,5R)-2-(((1'S,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	323	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336609 (3-((1R,5S)-2-((Z)-3-phenylallyl)-2-azabicyclo[3.3....) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C/c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6-/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	359	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336609 (3-((1R,5S)-2-((Z)-3-phenylallyl)-2-azabicyclo[3.3....) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C\C=C/c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6-/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336610 (3-((1S,5R)-2-(((1'R,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336608 (3-((1S,5R)-2-((Z)-3-phenylallyl)-2-azabicyclo[3.3....) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C\C=C/c1ccccc1)CC2 |r| Show InChI InChI=1S/C23H27NO/c25-22-12-4-10-20(17-22)23-13-5-11-21(18-23)24(16-14-23)15-6-9-19-7-2-1-3-8-19/h1-4,6-10,12,17,21,25H,5,11,13-16,18H2/b9-6-/t21-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50336605 (3-((1R,5S)-2-(((1'S,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50336605 (3-((1R,5S)-2-(((1'S,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	475	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336612 (3-((1S,5R)-2-(((1'S,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21-,23+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	547	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336604 (3-((1S,5R)-2-(((1'R,2'S)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336610 (3-((1S,5R)-2-(((1'R,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@]12CCC[C@H](C1)N(C[C@@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50336605 (3-((1R,5S)-2-(((1'S,2'R)-2-Phenylcyclopropyl)methy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](C1)N(C[C@H]1C[C@H]1c1ccccc1)CC2 |r| Show InChI InChI=1S/C24H29NO/c26-22-10-4-8-20(15-22)24-11-5-9-21(16-24)25(13-12-24)17-19-14-23(19)18-6-2-1-3-7-18/h1-4,6-8,10,15,19,21,23,26H,5,9,11-14,16-17H2/t19-,21+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 54: 957-69 (2011) Article DOI: 10.1021/jm1011676 BindingDB Entry DOI: 10.7270/Q2GX4BV4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443385 (SPC-100270 | Safingol | Safingol HCl) Show SMILES CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO Show InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50004888 ((S)-Fingolimod Vinylphosphonate | CHEMBL1773676) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)\C=C\P(O)(O)=O)cc1 |r| Show InChI InChI=1S/C20H34NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,15-16,22H,2-8,13-14,17,21H2,1H3,(H2,23,24,25)/b16-15+/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Competitive inhibition of SK1 (unknown origin) in presence of ATP				Bioorg Med Chem 21: 2503-10 (2013) Article DOI: 10.1016/j.bmc.2013.02.042 BindingDB Entry DOI: 10.7270/Q26T0P1G
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443389 (CHEMBL2376441) Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 1 (unknown origin)				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of SK2 (unknown origin)				Medchemcomm 4: (2013) Article DOI: 10.1039/C3MD00201B BindingDB Entry DOI: 10.7270/Q2736TWP
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393641 (CHEMBL2158686) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COC)cc1 |r| Show InChI InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of SK2 (unknown origin)				Medchemcomm 4: (2013) Article DOI: 10.1039/C3MD00201B BindingDB Entry DOI: 10.7270/Q2736TWP
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50041978 (CHEMBL3134157) Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of recombinant SK1 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate after 30 mins				Medchemcomm 4: (2013) Article DOI: 10.1039/C3MD00201B BindingDB Entry DOI: 10.7270/Q2736TWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443384 (CHEMBL3086799) Show SMILES CCCCCCCCc1ccc(CCN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-9-19-11-13-20(14-12-19)15-17-22-16-8-10-21(22)18-23/h11-14,21,23H,2-10,15-18H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of recombinant sphingosine kinase 1 (unknown origin) expressed in HEK293 cells using sphingosine as substrate after 30 mins in presence of...				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50473216 (CHEMBL1315457) Show SMILES [I-].[I-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 Show InChI InChI=1S/C34H46N4/c1-27-25-31(35)29-19-13-15-21-33(29)37(27)23-17-11-9-7-5-3-4-6-8-10-12-18-24-38-28(2)26-32(36)30-20-14-16-22-34(30)38/h13-16,19-22,25-26,35-36H,3-12,17-18,23-24H2,1-2H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of human recombinant PKCalpha				J Med Chem 43: 1413-7 (2000) Article DOI: 10.1021/jm990340z BindingDB Entry DOI: 10.7270/Q2HT2S2Q
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50473214 (CHEMBL2113330) Show SMILES [I-].[I-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 Show InChI InChI=1S/C36H50N4/c1-29-27-33(37)31-21-15-17-23-35(31)39(29)25-19-13-11-9-7-5-3-4-6-8-10-12-14-20-26-40-30(2)28-34(38)32-22-16-18-24-36(32)40/h15-18,21-24,27-28,37-38H,3-14,19-20,25-26H2,1-2H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of human recombinant PKCalpha				J Med Chem 43: 1413-7 (2000) Article DOI: 10.1021/jm990340z BindingDB Entry DOI: 10.7270/Q2HT2S2Q
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443387 (CHEMBL3086811) Show SMILES CCCCCCCCc1ccc(CCN2CCC(O)CC2)cc1 Show InChI InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)13-16-22-17-14-21(23)15-18-22/h9-12,21,23H,2-8,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of recombinant sphingosine kinase 1 (unknown origin) expressed in HEK293 cells using sphingosine as substrate after 30 mins in presence of...				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50473219 (CHEMBL2113338) Show SMILES [I-].[I-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 Show InChI InChI=1S/C32H42N4/c1-25-23-29(33)27-17-11-13-19-31(27)35(25)21-15-9-7-5-3-4-6-8-10-16-22-36-26(2)24-30(34)28-18-12-14-20-32(28)36/h11-14,17-20,23-24,33-34H,3-10,15-16,21-22H2,1-2H3/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of human recombinant PKCalpha				J Med Chem 43: 1413-7 (2000) Article DOI: 10.1021/jm990340z BindingDB Entry DOI: 10.7270/Q2HT2S2Q
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50443383 (CHEMBL3086796) Show SMILES CCCCCCCCCCCCc1ccc(CCN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-13-23-15-17-24(18-16-23)19-21-26-20-12-14-25(26)22-27/h15-18,25,27H,2-14,19-22H2,1H3/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of sphingosine kinase 2 (unknown origin) using sphingosine as substrate after 30 mins in presence of [gamma32P]-ATP				J Med Chem 56: 9310-27 (2013) Article DOI: 10.1021/jm401399c BindingDB Entry DOI: 10.7270/Q2S75HSK
					More data for this Ligand-Target Pair

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