Compile Data Set for Download or QSAR

Found 423 hits with Last Name = 'warrack' and Initial = 'b'   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01109 BindingDB Entry DOI: 10.7270/Q28919KX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23165 (CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analy...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50169441 (CHEMBL3806205) Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting				ACS Med Chem Lett 7: 283-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00448 BindingDB Entry DOI: 10.7270/Q2D79D95
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50169441 (CHEMBL3806205) Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01109 BindingDB Entry DOI: 10.7270/Q28919KX
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50169441 (CHEMBL3806205) Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analy...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM258470 (US9522888, 697) Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analy...				Citation and Details Article DOI: 10.1021/acs.jmedchem.8b01695 BindingDB Entry DOI: 10.7270/Q2TQ659P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23163 (CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting				ACS Med Chem Lett 7: 283-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00448 BindingDB Entry DOI: 10.7270/Q2D79D95
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM258466 (US9522888, 689) Show SMILES COCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01109 BindingDB Entry DOI: 10.7270/Q28919KX
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50562873 (CHEMBL4786296) Show SMILES CCOCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting metho...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01109 BindingDB Entry DOI: 10.7270/Q28919KX
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532543 (CHEMBL4474984) Show SMILES OC(CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C27H25F3N4O5/c28-27(29,30)22-23(18-6-2-1-3-7-18)32-38-24(22)26-31-25(33-39-26)19-10-8-17(9-11-19)20(35)15-34-12-4-5-16(14-34)13-21(36)37/h1-3,6-11,16,20,35H,4-5,12-15H2,(H,36,37)/t16-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532543 (CHEMBL4474984) Show SMILES OC(CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C27H25F3N4O5/c28-27(29,30)22-23(18-6-2-1-3-7-18)32-38-24(22)26-31-25(33-39-26)19-10-8-17(9-11-19)20(35)15-34-12-4-5-16(14-34)13-21(36)37/h1-3,6-11,16,20,35H,4-5,12-15H2,(H,36,37)/t16-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532539 (CHEMBL4569675) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CNCCC(O)=O Show InChI InChI=1S/C25H26N4O5/c1-2-6-19-22(28-33-23(19)17-7-4-3-5-8-17)25-27-24(29-34-25)18-11-9-16(10-12-18)20(30)15-26-14-13-21(31)32/h3-5,7-12,20,26,30H,2,6,13-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532539 (CHEMBL4569675) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CNCCC(O)=O Show InChI InChI=1S/C25H26N4O5/c1-2-6-19-22(28-33-23(19)17-7-4-3-5-8-17)25-27-24(29-34-25)18-11-9-16(10-12-18)20(30)15-26-14-13-21(31)32/h3-5,7-12,20,26,30H,2,6,13-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532532 (CHEMBL4457691) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC[C@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C29H32N4O5/c1-2-7-23-26(31-37-27(23)21-9-4-3-5-10-21)29-30-28(32-38-29)22-13-11-20(12-14-22)24(34)18-33-15-6-8-19(17-33)16-25(35)36/h3-5,9-14,19,24,34H,2,6-8,15-18H2,1H3,(H,35,36)/t19-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532532 (CHEMBL4457691) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC[C@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C29H32N4O5/c1-2-7-23-26(31-37-27(23)21-9-4-3-5-10-21)29-30-28(32-38-29)22-13-11-20(12-14-22)24(34)18-33-15-6-8-19(17-33)16-25(35)36/h3-5,9-14,19,24,34H,2,6-8,15-18H2,1H3,(H,35,36)/t19-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM197654 (US9216972, 7) Show SMILES OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)20-21(15-4-2-1-3-5-15)30-36-24(20)23-19-9-7-16-10-14(6-8-18(16)22(19)31-35-23)11-32-12-17(13-32)25(33)34/h1-6,8,10,17H,7,9,11-13H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human S1P1				Citation and Details BindingDB Entry DOI: 10.7270/Q24X5CD0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532542 (CHEMBL4461520) Show SMILES OC(CN1CCC[C@@H](C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-21(16-5-2-1-3-6-16)31-37-22(20)24-30-23(32-38-24)17-10-8-15(9-11-17)19(34)14-33-12-4-7-18(13-33)25(35)36/h1-3,5-6,8-11,18-19,34H,4,7,12-14H2,(H,35,36)/t18-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532542 (CHEMBL4461520) Show SMILES OC(CN1CCC[C@@H](C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-21(16-5-2-1-3-6-16)31-37-22(20)24-30-23(32-38-24)17-10-8-15(9-11-17)19(34)14-33-12-4-7-18(13-33)25(35)36/h1-3,5-6,8-11,18-19,34H,4,7,12-14H2,(H,35,36)/t18-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532534 (CHEMBL4469843) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532526 (CHEMBL4440968) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC(C1)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-2-6-21-23(29-35-24(21)18-7-4-3-5-8-18)26-28-25(30-36-26)19-11-9-17(10-12-19)22(32)16-31-14-13-20(15-31)27(33)34/h3-5,7-12,20,22,32H,2,6,13-16H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532526 (CHEMBL4440968) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC(C1)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-2-6-21-23(29-35-24(21)18-7-4-3-5-8-18)26-28-25(30-36-26)19-11-9-17(10-12-19)22(32)16-31-14-13-20(15-31)27(33)34/h3-5,7-12,20,22,32H,2,6,13-16H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532538 (CHEMBL4587424) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-22-24(30-36-25(22)19-8-4-3-5-9-19)27-29-26(31-37-27)20-13-11-18(12-14-20)23(33)17-32-15-6-10-21(16-32)28(34)35/h3-5,8-9,11-14,21,23,33H,2,6-7,10,15-17H2,1H3,(H,34,35)/t21-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532538 (CHEMBL4587424) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-22-24(30-36-25(22)19-8-4-3-5-9-19)27-29-26(31-37-27)20-13-11-18(12-14-20)23(33)17-32-15-6-10-21(16-32)28(34)35/h3-5,8-9,11-14,21,23,33H,2,6-7,10,15-17H2,1H3,(H,34,35)/t21-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532540 (CHEMBL4475594) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN Show InChI InChI=1S/C22H22N4O3/c1-2-6-17-19(25-28-20(17)15-7-4-3-5-8-15)22-24-21(26-29-22)16-11-9-14(10-12-16)18(27)13-23/h3-5,7-12,18,27H,2,6,13,23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532540 (CHEMBL4475594) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN Show InChI InChI=1S/C22H22N4O3/c1-2-6-17-19(25-28-20(17)15-7-4-3-5-8-15)22-24-21(26-29-22)16-11-9-14(10-12-16)18(27)13-23/h3-5,7-12,18,27H,2,6,13,23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532541 (CHEMBL4452807) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@@H]1CCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532541 (CHEMBL4452807) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@@H]1CCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C28H30N4O5/c1-2-7-21-24(31-36-25(21)18-8-4-3-5-9-18)27-30-26(32-37-27)19-14-12-17(13-15-19)23(33)16-29-22-11-6-10-20(22)28(34)35/h3-5,8-9,12-15,20,22-23,29,33H,2,6-7,10-11,16H2,1H3,(H,34,35)/t20-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50156282 (CHEMBL3780847) Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156232 (CHEMBL3782020) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1 Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-17-16(14)12-21-22(17)18-7-2-3-9-20-18/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156233 (CHEMBL3780658) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cccnn1 Show InChI InChI=1S/C17H13N5/c1-12-7-9-18-10-14(12)13-4-2-5-16-15(13)11-20-22(16)17-6-3-8-19-21-17/h2-11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50156282 (CHEMBL3780847) Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156281 (CHEMBL3780743) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C19H15N3/c1-14-10-11-20-12-17(14)16-8-5-9-19-18(16)13-21-22(19)15-6-3-2-4-7-15/h2-13H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156235 (CHEMBL3780266) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1nccs1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-15-14(12)10-19-20(15)16-18-7-8-21-16/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532527 (CHEMBL4464631) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C29H32N4O5/c1-2-7-23-26(31-37-27(23)21-9-4-3-5-10-21)29-30-28(32-38-29)22-13-11-20(12-14-22)24(34)18-33-15-6-8-19(17-33)16-25(35)36/h3-5,9-14,19,24,34H,2,6-8,15-18H2,1H3,(H,35,36)/t19-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532527 (CHEMBL4464631) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C29H32N4O5/c1-2-7-23-26(31-37-27(23)21-9-4-3-5-10-21)29-30-28(32-38-29)22-13-11-20(12-14-22)24(34)18-33-15-6-8-19(17-33)16-25(35)36/h3-5,9-14,19,24,34H,2,6-8,15-18H2,1H3,(H,35,36)/t19-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156231 (CHEMBL3781112) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-19-18(16)12-22-23(19)15-7-5-14(20)6-8-15/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156234 (CHEMBL3780226) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cnccn1 Show InChI InChI=1S/C17H13N5/c1-12-5-6-18-9-14(12)13-3-2-4-16-15(13)10-21-22(16)17-11-19-7-8-20-17/h2-11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156236 (CHEMBL3780048) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cscn1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-15-14(12)8-19-20(15)16-9-21-10-18-16/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532535 (CHEMBL4545842) Show SMILES OC(CN1CC(C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C24H19F3N4O5/c25-24(26,27)18-19(14-4-2-1-3-5-14)29-35-20(18)22-28-21(30-36-22)15-8-6-13(7-9-15)17(32)12-31-10-16(11-31)23(33)34/h1-9,16-17,32H,10-12H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532535 (CHEMBL4545842) Show SMILES OC(CN1CC(C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C24H19F3N4O5/c25-24(26,27)18-19(14-4-2-1-3-5-14)29-35-20(18)22-28-21(30-36-22)15-8-6-13(7-9-15)17(32)12-31-10-16(11-31)23(33)34/h1-9,16-17,32H,10-12H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50391839 (CHEMBL2147034 | US9133160, 2) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1 Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532537 (CHEMBL4553546) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCCCC1CC(O)=O Show InChI InChI=1S/C29H32N4O5/c1-2-8-23-26(31-37-27(23)20-9-4-3-5-10-20)29-30-28(32-38-29)21-14-12-19(13-15-21)24(34)18-33-16-7-6-11-22(33)17-25(35)36/h3-5,9-10,12-15,22,24,34H,2,6-8,11,16-18H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532537 (CHEMBL4553546) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCCCC1CC(O)=O Show InChI InChI=1S/C29H32N4O5/c1-2-8-23-26(31-37-27(23)20-9-4-3-5-10-20)29-30-28(32-38-29)21-14-12-19(13-15-21)24(34)18-33-16-7-6-11-22(33)17-25(35)36/h3-5,9-10,12-15,22,24,34H,2,6-8,11,16-18H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156237 (CHEMBL3781487) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1nccs1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-14-15(12)19-10-20(14)16-18-7-8-21-16/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156238 (CHEMBL3781910) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cscn1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-14-16(12)18-9-20(14)15-8-21-10-19-15/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532544 (CHEMBL4553920) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCNC(C1)C(O)=O Show InChI InChI=1S/C27H29N5O5/c1-2-6-20-23(30-36-24(20)18-7-4-3-5-8-18)26-29-25(31-37-26)19-11-9-17(10-12-19)22(33)16-32-14-13-28-21(15-32)27(34)35/h3-5,7-12,21-22,28,33H,2,6,13-16H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532544 (CHEMBL4553920) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCNC(C1)C(O)=O Show InChI InChI=1S/C27H29N5O5/c1-2-6-20-23(30-36-24(20)18-7-4-3-5-8-18)26-29-25(31-37-26)19-11-9-17(10-12-19)22(33)16-32-14-13-28-21(15-32)27(34)35/h3-5,7-12,21-22,28,33H,2,6,13-16H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair

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