Compile Data Set for Download or QSAR

Found 3388 hits with Last Name = 'sciabola' and Initial = 's'   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50044676 (CHEMBL439044) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180014 (CHEMBL3814744) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)38(62)52-29(18-34(47)59)39(63)53-30(21-70-69-20-26(45)37(61)51-28(40(64)54-36)17-24-9-11-25(57)12-10-24)43(67)56-15-7-8-31(56)44(68)55(5)32(16-22(2)3)41(65)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,65)(H,50,66)(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180155 (CHEMBL3813894) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)39(63)53-30(18-34(47)59)43(67)55(5)32(21-70-69-20-26(45)37(61)51-29(40(64)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-31(56)41(65)52-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,66)(H,51,61)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180132 (CHEMBL3814633) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-42(66)49-27(13-14-33(46)58)38(62)51-29(18-34(47)59)39(63)53-31(21-70-69-20-26(45)37(61)50-28(40(64)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-32(56)41(65)52-30(16-22(2)3)43(67)55(5)19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,66)(H,50,61)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180160 (CHEMBL3815099) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C45H69N11O12S2/c1-7-25(4)38-42(65)50-28(14-15-34(46)58)39(62)51-30(21-35(47)59)40(63)52-31(23-70-69-18-16-37(61)49-29(41(64)53-38)20-26-10-12-27(57)13-11-26)43(66)56-17-8-9-32(56)45(68)55(6)33(19-24(2)3)44(67)54(5)22-36(48)60/h10-13,24-25,28-33,38,57H,7-9,14-23H2,1-6H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,61)(H,50,65)(H,51,62)(H,52,63)(H,53,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50179992 (CHEMBL3814395) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC)[C@@H](C)CC |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-43(67)50-26(13-14-33(45)58)38(62)52-29(18-34(46)59)39(63)54-31(44(68)56-15-7-8-32(56)42(66)53-27(16-22(2)3)37(61)49-19-35(47)60)21-70-69-20-30(48-5)41(65)51-28(40(64)55-36)17-24-9-11-25(57)12-10-24/h9-12,22-23,26-32,36,48,57H,6-8,13-21H2,1-5H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,49,61)(H,50,67)(H,51,65)(H,52,62)(H,53,66)(H,54,63)(H,55,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50179993 (CHEMBL3814165) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)38(62)51-29(18-34(47)59)39(63)53-30(44(68)56-15-7-8-31(56)40(64)52-28(16-22(2)3)37(61)49-19-35(48)60)21-70-69-20-26(45)43(67)55(5)32(41(65)54-36)17-24-9-11-25(57)12-10-24/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,61)(H,50,66)(H,51,62)(H,52,64)(H,53,63)(H,54,65)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180165 (CHEMBL3813722) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C45H70N12O12S2/c1-7-24(4)37-42(66)50-28(14-15-34(47)59)39(63)52-30(19-35(48)60)40(64)53-31(22-71-70-21-27(46)38(62)51-29(41(65)54-37)18-25-10-12-26(58)13-11-25)43(67)57-16-8-9-32(57)45(69)56(6)33(17-23(2)3)44(68)55(5)20-36(49)61/h10-13,23-24,27-33,37,58H,7-9,14-22,46H2,1-6H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,66)(H,51,62)(H,52,63)(H,53,64)(H,54,65)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180154 (CHEMBL3814617) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)43(67)55(5)32(18-34(47)59)41(65)53-30(21-70-69-20-26(45)37(61)51-29(39(63)54-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-8-31(56)40(64)52-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,66)(H,51,61)(H,52,64)(H,53,65)(H,54,63)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180164 (CHEMBL3814120) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C45H70N12O12S2/c1-7-24(4)37-42(66)50-28(14-15-34(47)59)39(63)52-31(19-35(48)60)44(68)56(6)33(22-71-70-21-27(46)38(62)51-29(40(64)54-37)18-25-10-12-26(58)13-11-25)45(69)57-16-8-9-32(57)41(65)53-30(17-23(2)3)43(67)55(5)20-36(49)61/h10-13,23-24,27-33,37,58H,7-9,14-22,46H2,1-6H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,66)(H,51,62)(H,52,63)(H,53,65)(H,54,64)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180158 (CHEMBL3813858) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C45H70N12O12S2/c1-7-24(4)37-42(66)51-28(14-15-34(47)59)39(63)53-30(19-35(48)60)43(67)56(6)33(22-71-70-21-27(46)38(62)52-29(40(64)54-37)18-25-10-12-26(58)13-11-25)45(69)57-16-8-9-31(57)44(68)55(5)32(17-23(2)3)41(65)50-20-36(49)61/h10-13,23-24,27-33,37,58H,7-9,14-22,46H2,1-6H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,65)(H,51,66)(H,52,62)(H,53,63)(H,54,64)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180159 (CHEMBL3814232) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC)[C@@H](C)CC |r| Show InChI InChI=1S/C45H70N12O12S2/c1-7-24(4)37-43(67)51-27(14-15-34(46)59)39(63)54-30(19-35(47)60)44(68)56(6)33(45(69)57-16-8-9-32(57)42(66)53-28(17-23(2)3)38(62)50-20-36(48)61)22-71-70-21-31(49-5)41(65)52-29(40(64)55-37)18-25-10-12-26(58)13-11-25/h10-13,23-24,27-33,37,49,58H,7-9,14-22H2,1-6H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,50,62)(H,51,67)(H,52,65)(H,53,66)(H,54,63)(H,55,64)/t24-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50179994 (CHEMBL3814126) Show SMILES [H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)39(63)51-29(18-34(47)59)40(64)54-31(44(68)56-15-7-8-32(56)41(65)52-28(16-22(2)3)38(62)49-19-35(48)60)21-70-69-20-26(45)37(61)53-30(43(67)55(36)5)17-24-9-11-25(57)12-10-24/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,66)(H,51,63)(H,52,65)(H,53,61)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50180013 (CHEMBL3814904) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)N(C)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C44H68N12O12S2/c1-6-23(4)36-44(68)55(5)31(13-14-33(46)58)41(65)52-29(18-34(47)59)39(63)53-30(21-70-69-20-26(45)37(61)50-28(40(64)54-36)17-24-9-11-25(57)12-10-24)43(67)56-15-7-8-32(56)42(66)51-27(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,61)(H,51,66)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation cou...				Bioorg Med Chem 24: 3513-20 (2016) Article DOI: 10.1016/j.bmc.2016.05.062 BindingDB Entry DOI: 10.7270/Q2WH2RXT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490011 (US10966980, Example 265) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCn3cccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.52,;2.18,3.19,;.64,3.19,;-.45,4.27,;-1.54,3.19,;-3.08,3.19,;-3.85,1.85,;-2.51,1.08,;-5.18,2.62,;-4.62,.52,;-6.16,.52,;-6.93,-.82,;-6.16,-2.15,;-6.63,-3.61,;-5.39,-4.52,;-4.14,-3.61,;-4.62,-2.15,;-3.85,-.82,;-.45,2.1,;2.95,1.85,;2.18,.52,;2.95,-.82,;4.49,-.82,;5.26,.52,;6.77,.84,;6.93,2.37,;5.52,3,;4.49,1.85,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490009 (US10966980, Example 263) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3ccccc3C(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4.1,;3.34,2.77,;1.8,2.77,;.71,3.86,;-.38,2.77,;-1.92,2.77,;-2.69,1.44,;-1.36,.67,;-4.03,2.21,;-3.46,.1,;-5,.1,;-5.77,-1.23,;-7.31,-1.23,;-8.08,-2.56,;-7.31,-3.9,;-5.77,-3.9,;-5,-2.56,;-3.46,-2.56,;-3.46,-4.1,;-2.13,-3.33,;-2.69,-1.23,;.71,1.68,;4.11,1.44,;3.34,.1,;4.11,-1.23,;5.65,-1.23,;6.42,.1,;7.92,.42,;8.08,1.95,;6.68,2.58,;5.65,1.44,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489965 (US10966980, Example 219) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CC2(C)CCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.4,.68,;-3.07,-.09,;-1.98,1,;-1.98,2.54,;-.44,2.54,;.65,3.62,;2.14,3.23,;3.22,4.31,;1.74,4.71,;3.47,2.46,;3.07,.97,;4.4,1.74,;1.74,.2,;2.51,-1.14,;3.84,-.37,;-.44,1,;-3.07,-1.63,;-4.4,-2.4,;-4.4,-3.94,;-3.07,-4.71,;-1.74,-3.94,;-.27,-4.42,;.63,-3.17,;-.27,-1.93,;-1.74,-2.4,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489909 (US10966980, Example 163) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2ccn(C)n2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-7.4,.68,;-6.07,-.09,;-4.98,1,;-4.98,2.54,;-3.44,2.54,;-2.35,3.62,;-.86,3.23,;-1.26,4.71,;.23,4.31,;.23,2.14,;-.17,.65,;.92,-.44,;2.4,-.04,;2.8,1.45,;1.71,2.54,;3.49,-1.13,;3.49,-2.67,;4.96,-3.15,;5.86,-1.9,;7.4,-1.9,;4.96,-.65,;-3.44,1,;-6.07,-1.63,;-7.4,-2.4,;-7.4,-3.94,;-6.07,-4.71,;-4.73,-3.94,;-3.27,-4.42,;-2.37,-3.17,;-3.27,-1.93,;-4.73,-2.4,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489982 (US10966980, Example 236) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cn(C)c(=O)cc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;3.61,1.91,;4.38,3.24,;5.92,3.24,;3.61,4.57,;4.38,5.91,;2.07,4.57,;1.3,3.24,;-.24,3.24,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489985 (US10966980, Example 239) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)C2CC(F)(F)C2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.99,1.48,;-4.66,.71,;-3.32,1.48,;-2.92,2.97,;-1.44,2.57,;-.1,3.34,;1.23,2.57,;2,3.91,;.46,1.24,;2.56,1.8,;2.96,.32,;4.45,.71,;5.99,.71,;5.22,-.62,;4.05,2.2,;-1.84,1.09,;-4.66,-.83,;-5.99,-1.6,;-5.99,-3.14,;-4.66,-3.91,;-3.32,-3.14,;-1.86,-3.61,;-.95,-2.37,;-1.86,-1.12,;-3.32,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489983 (US10966980, Example 237) Show SMILES COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.72,6.4,;4.81,5.31,;4.41,3.82,;5.5,2.73,;5.1,1.25,;3.61,.85,;2.53,1.94,;2.92,3.43,;1.04,1.54,;1.44,3.03,;.64,.05,;-.45,1.94,;-1.54,.85,;-3.08,.85,;-3.08,-.69,;-1.54,-.69,;-4.17,-1.78,;-5.5,-1.01,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489960 (US10966980, Example 214) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)c2ncco2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.46,.68,;-5.12,-.09,;-4.03,1,;-4.03,2.54,;-2.49,2.54,;-1.4,3.62,;.08,3.23,;1.17,4.31,;-.31,4.71,;1.17,2.14,;.77,.65,;1.86,-.44,;3.35,-.04,;3.75,1.45,;2.66,2.54,;4.44,-1.13,;5.98,-1.13,;6.46,-2.59,;5.21,-3.5,;3.96,-2.59,;-2.49,1,;-5.12,-1.63,;-6.46,-2.4,;-6.46,-3.94,;-5.12,-4.71,;-3.79,-3.94,;-2.32,-4.42,;-1.42,-3.17,;-2.32,-1.93,;-3.79,-2.4,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489998 (US10966980, Example 252) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(Cl)cc2F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,-.07,;-4.91,-.84,;-3.82,.25,;-3.82,1.79,;-2.28,1.79,;-1.19,2.88,;.29,2.48,;.69,3.97,;-.1,.99,;1.78,2.88,;2.87,1.79,;4.36,2.19,;4.76,3.68,;6.24,4.08,;3.67,4.77,;2.18,4.37,;1.09,5.46,;-2.28,.25,;-4.91,-2.38,;-6.24,-3.15,;-6.24,-4.69,;-4.91,-5.46,;-3.58,-4.69,;-2.11,-5.16,;-1.21,-3.92,;-2.11,-2.67,;-3.58,-3.15,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489974 (US10966980, Example 228) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,1.48,;-4.59,.71,;-3.25,1.48,;-2.85,2.97,;-1.37,2.57,;-.03,3.34,;1.3,2.57,;2.07,3.91,;2.07,1.24,;2.84,2.57,;3.61,1.24,;5.15,1.24,;5.92,-.09,;5.92,2.57,;-1.77,1.09,;-4.59,-.83,;-5.92,-1.6,;-5.92,-3.14,;-4.59,-3.91,;-3.25,-3.14,;-1.79,-3.61,;-.88,-2.37,;-1.79,-1.12,;-3.25,-1.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489940 (US10966980, Example 194) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cccc(F)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.5,-.47,;-4.17,-1.24,;-3.08,-.15,;-3.08,1.39,;-1.54,1.39,;-.45,2.48,;1.04,2.08,;1.44,3.57,;.64,.6,;2.53,2.48,;3.61,1.39,;5.1,1.79,;5.5,3.28,;4.41,4.37,;4.81,5.86,;2.92,3.97,;-1.54,-.15,;-4.17,-2.78,;-5.5,-3.55,;-5.5,-5.09,;-4.17,-5.86,;-2.83,-5.09,;-1.37,-5.56,;-.46,-4.32,;-1.37,-3.07,;-2.83,-3.55,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490006 (US10966980, Example 260) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCC(C2)C(F)(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(2.95,4.68,;2.18,3.35,;.64,3.35,;-.44,4.44,;-1.53,3.35,;-3.07,3.35,;-3.84,2.02,;-2.51,1.25,;-5.18,2.79,;-4.61,.68,;-6.15,.68,;-6.93,-.67,;-6.15,-2.02,;-4.6,-2.02,;-3.82,-.67,;-3.83,-3.35,;-3.06,-4.68,;-2.49,-2.58,;-5.16,-4.12,;-.44,2.26,;2.95,2.02,;2.18,.68,;2.95,-.65,;4.49,-.65,;5.26,.68,;6.77,1,;6.93,2.53,;5.52,3.16,;4.49,2.02,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489977 (US10966980, Example 231) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnccc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490010 (US10966980, Example 264) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCc3ccccc3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(4.11,4,;3.34,2.67,;1.8,2.67,;.71,3.76,;-.38,2.67,;-1.92,2.67,;-2.69,1.33,;-1.36,.56,;-4.03,2.1,;-3.46,,;-2.69,-1.33,;-3.46,-2.67,;-5,-2.67,;-5.77,-4,;-7.31,-4,;-8.08,-2.67,;-7.31,-1.33,;-5.77,-1.33,;-5,,;.71,1.58,;4.11,1.33,;3.34,,;4.11,-1.33,;5.65,-1.33,;6.42,,;7.92,.32,;8.08,1.85,;6.68,2.48,;5.65,1.33,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489986 (US10966980, Example 240) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(=O)n(C)c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-5.92,-.52,;-4.59,-1.29,;-3.25,-.52,;-2.85,.97,;-1.37,.57,;-.03,1.34,;1.3,.57,;2.63,-.2,;.53,-.76,;2.07,1.91,;1.3,3.24,;2.07,4.57,;3.61,4.57,;4.38,5.91,;4.38,3.24,;5.92,3.24,;3.61,1.91,;-1.77,-.92,;-4.59,-2.83,;-5.92,-3.6,;-5.92,-5.14,;-4.59,-5.91,;-3.25,-5.14,;-1.79,-5.61,;-.88,-4.37,;-1.79,-3.12,;-3.25,-3.6,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490008 (US10966980, Example 262) Show SMILES COc1ccc2CN(Cc2c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:17.21,15.16,(-8.03,-5.14,;-8.03,-3.6,;-6.7,-2.83,;-5.36,-3.6,;-4.03,-2.83,;-4.03,-1.29,;-2.89,-.26,;-3.51,1.14,;-5.04,.98,;-5.36,-.52,;-6.7,-1.29,;-2.74,2.48,;-1.41,1.71,;-4.08,3.25,;-1.97,3.81,;-.43,3.81,;.66,4.9,;1.74,3.81,;.66,2.72,;3.28,3.81,;4.05,5.14,;4.05,2.48,;3.28,1.14,;4.05,-.19,;5.59,-.19,;6.36,1.14,;7.87,1.46,;8.03,2.99,;6.63,3.62,;5.59,2.48,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489922 (US10966980, Example 176) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccnc(C)c2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;2.28,4.01,;3.61,3.24,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;4.94,-2.15,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489916 (US10966980, Example 170) Show SMILES COc1cc(C)c(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(2.36,-4.26,;1.27,-3.17,;1.67,-1.69,;.58,-.6,;.98,.89,;.58,2.38,;2.47,1.29,;3.56,.2,;3.16,-1.29,;2.87,2.78,;3.27,4.26,;4.35,3.17,;1.53,3.55,;.2,2.78,;-1.29,3.17,;-1.69,1.69,;-.2,1.29,;-3.02,.92,;-4.35,1.69,;-3.02,-.62,;-4.35,-1.39,;-4.35,-2.93,;-3.02,-3.7,;-1.69,-2.93,;-.22,-3.41,;.68,-2.16,;-.22,-.92,;-1.69,-1.39,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489978 (US10966980, Example 232) Show SMILES CO[C@@H](C)C1CCN(CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:2.2,wD:16.19,14.14,(3.88,-4.98,;4.28,-3.49,;2.94,-2.72,;1.61,-3.49,;2.94,-1.18,;1.61,-.41,;1.61,1.13,;2.94,1.9,;4.28,1.13,;4.28,-.41,;2.94,3.44,;4.28,4.21,;2.94,4.98,;1.61,4.21,;.28,3.44,;-1.21,3.84,;-1.61,2.35,;-.12,1.95,;-2.94,1.58,;-4.28,2.35,;-2.94,.04,;-4.28,-.73,;-4.28,-2.27,;-2.94,-3.04,;-1.61,-2.27,;-.15,-2.75,;.76,-1.5,;-.15,-.25,;-1.61,-.73,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489941 (US10966980, Example 195) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CC2)C(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.94,-.16,;-5.61,-.93,;-4.28,-.16,;-3.88,1.33,;-2.39,.93,;-1.06,1.7,;.28,.93,;-.49,-.4,;1.05,-.4,;1.61,1.7,;2.94,.93,;4.28,1.7,;4.28,3.24,;2.94,4.01,;1.61,3.24,;5.61,4.01,;6.94,3.24,;5.61,5.55,;-2.79,-.56,;-5.61,-2.47,;-6.94,-3.24,;-6.94,-4.78,;-5.61,-5.55,;-4.28,-4.78,;-2.81,-5.26,;-1.91,-4.01,;-2.81,-2.76,;-4.28,-3.24,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489987 (US10966980, Example 241) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2ccc(F)cc2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.24,.28,;-4.91,-.49,;-3.82,.6,;-3.82,2.14,;-2.28,2.14,;-1.19,3.23,;.29,2.83,;.69,4.31,;-.1,1.34,;1.78,3.23,;2.18,4.71,;3.67,5.11,;4.76,4.02,;6.24,4.42,;4.36,2.54,;2.87,2.14,;-2.28,.6,;-4.91,-2.03,;-6.24,-2.8,;-6.24,-4.34,;-4.91,-5.11,;-3.58,-4.34,;-2.11,-4.82,;-1.21,-3.57,;-2.11,-2.33,;-3.58,-2.8,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490005 (US10966980, Example 259) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2Cc3cnn(C)c3C2)C1)c1ncnc2[nH]ccc12 |r,wU:2.1,4.4,(3.44,4.61,;2.67,3.27,;1.13,3.27,;.04,4.36,;-1.05,3.27,;-2.59,3.27,;-3.36,1.94,;-2.03,1.17,;-4.7,2.71,;-4.13,.6,;-5.67,.6,;-6.15,-.88,;-7.41,-1.79,;-6.93,-3.27,;-5.38,-3.27,;-4.61,-4.61,;-4.89,-1.79,;-3.63,-.88,;.04,2.18,;3.44,1.94,;2.67,.6,;3.44,-.73,;4.98,-.73,;5.75,.6,;7.25,.92,;7.41,2.46,;6.01,3.08,;4.98,1.94,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489994 (US10966980, Example 248) Show SMILES CC[C@H](C)CS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:2.2,wD:11.13,9.8,(3.9,-2.66,;2.81,-1.57,;3.21,-.08,;4.7,.32,;2.12,1.01,;2.52,2.5,;4.01,2.89,;2.92,3.98,;1.19,3.27,;-.15,2.5,;-1.63,2.89,;-2.03,1.41,;-.54,1.01,;-3.37,.64,;-4.7,1.41,;-3.37,-.9,;-4.7,-1.67,;-4.7,-3.21,;-3.37,-3.98,;-2.03,-3.21,;-.57,-3.69,;.34,-2.44,;-.57,-1.2,;-2.03,-1.67,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489934 (US10966980, Example 188) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CC[C@H](C2)OC(F)F)C1)c1ncnc2[nH]ccc12 |r,wU:12.14,wD:2.1,4.4,(-4.56,.73,;-3.22,-.04,;-2.14,1.05,;-2.14,2.59,;-.6,2.59,;.49,3.68,;1.98,3.28,;3.07,4.37,;1.58,4.77,;2.38,1.79,;3.84,1.31,;3.84,-.23,;2.38,-.7,;1.47,.54,;1.98,-2.19,;3.07,-3.28,;4.56,-2.88,;2.67,-4.77,;-.6,1.05,;-3.22,-1.58,;-4.56,-2.35,;-4.56,-3.89,;-3.22,-4.66,;-1.89,-3.89,;-.43,-4.37,;.48,-3.12,;-.43,-1.88,;-1.89,-2.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489968 (US10966980, Example 222) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc(C)cc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,-3.69,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489906 (US10966980, Example 160) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCCC(F)F)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.85,1.61,;-3.51,.84,;-2.18,1.61,;-1.78,3.09,;-.29,2.69,;1.04,3.47,;2.38,2.69,;3.46,3.78,;1.29,1.61,;3.46,1.61,;3.07,.12,;4.15,-.97,;3.76,-2.46,;4.85,-3.55,;2.27,-2.86,;-.69,1.21,;-3.51,-.7,;-4.85,-1.47,;-4.85,-3.01,;-3.51,-3.78,;-2.18,-3.01,;-.71,-3.49,;.19,-2.24,;-.71,-1,;-2.18,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489971 (US10966980, Example 225) Show SMILES CCOc1ncccc1S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(3.72,6.4,;2.23,6,;1.84,4.51,;2.92,3.43,;4.41,3.82,;5.5,2.73,;5.1,1.25,;3.61,.85,;2.53,1.94,;1.04,1.54,;1.44,3.03,;.64,.05,;-.45,1.94,;-1.54,.85,;-3.08,.85,;-3.08,-.69,;-1.54,-.69,;-4.17,-1.78,;-5.5,-1.01,;-4.17,-3.32,;-5.5,-4.09,;-5.5,-5.63,;-4.17,-6.4,;-2.83,-5.63,;-1.37,-6.11,;-.46,-4.86,;-1.37,-3.61,;-2.83,-4.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489970 (US10966980, Example 224) Show SMILES COc1cc(cnc1C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:15.18,13.13,(4.94,-3.69,;4.94,-2.15,;3.61,-1.38,;3.61,.16,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,-3.69,;2.28,2.47,;3.61,3.24,;2.28,4.01,;.94,3.24,;-.39,2.47,;-1.88,2.87,;-2.28,1.38,;-.79,.98,;-3.61,.61,;-4.94,1.38,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489969 (US10966980, Example 223) Show SMILES COc1ccc(cn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(6.44,5.51,;6.05,4.02,;4.56,3.62,;3.47,4.71,;1.98,4.31,;1.58,2.83,;2.67,1.74,;4.16,2.14,;.1,2.43,;.49,3.92,;-.3,.94,;-1.39,2.83,;-2.48,1.74,;-4.02,1.74,;-4.02,.2,;-2.48,.2,;-5.11,-.89,;-6.44,-.12,;-5.11,-2.43,;-6.44,-3.2,;-6.44,-4.74,;-5.11,-5.51,;-3.78,-4.74,;-2.31,-5.22,;-1.41,-3.97,;-2.31,-2.72,;-3.78,-3.2,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489901 (US10966980, Example 155) Show SMILES COc1cc(ccn1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(4.94,-3.69,;4.94,-2.15,;3.61,-1.38,;3.61,.16,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;2.28,2.47,;2.28,4.01,;3.61,3.24,;.94,3.24,;-.39,2.47,;-1.88,2.87,;-2.28,1.38,;-.79,.98,;-3.61,.61,;-4.94,1.38,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489920 (US10966980, Example 174) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)CCCCF)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.39,.19,;-5.06,-.58,;-3.97,.5,;-3.97,2.04,;-2.43,2.04,;-1.34,3.13,;.15,2.73,;-.25,1.25,;1.48,1.96,;1.24,3.82,;2.73,3.43,;3.81,4.51,;5.3,4.12,;6.39,5.2,;-2.43,.5,;-5.06,-2.12,;-6.39,-2.89,;-6.39,-4.43,;-5.06,-5.2,;-3.72,-4.43,;-2.26,-4.91,;-1.35,-3.66,;-2.26,-2.42,;-3.72,-2.89,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM490000 (US10966980, Example 254) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCC(CF)CC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.28,1.61,;-2.94,.84,;-1.61,1.61,;-1.21,3.09,;.28,2.69,;1.61,3.47,;2.94,2.69,;4.28,3.47,;2.94,4.23,;2.94,1.15,;1.61,.38,;1.61,-1.15,;2.94,-1.93,;2.94,-3.46,;4.28,-4.23,;4.28,-1.15,;4.28,.38,;-.12,1.21,;-2.94,-.7,;-4.28,-1.47,;-4.28,-3.01,;-2.94,-3.78,;-1.61,-3.01,;-.15,-3.49,;.76,-2.24,;-.15,-1,;-1.61,-1.47,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489961 (US10966980, Example 215) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnc3ccccc3c2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-6.79,.28,;-5.46,-.49,;-4.37,.6,;-4.37,2.14,;-2.83,2.14,;-1.74,3.23,;-.25,2.83,;.15,4.31,;-.65,1.34,;1.24,3.23,;1.64,4.71,;3.12,5.11,;4.21,4.02,;5.7,4.42,;6.79,3.33,;6.39,1.85,;4.9,1.45,;3.81,2.54,;2.33,2.14,;-2.83,.6,;-5.46,-2.03,;-6.79,-2.8,;-6.79,-4.34,;-5.46,-5.11,;-4.12,-4.34,;-2.66,-4.82,;-1.75,-3.57,;-2.66,-2.33,;-4.12,-2.8,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489962 (US10966980, Example 216) Show SMILES COC(C)c1ccc(cc1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:16.19,14.14,(5.01,6.06,;6.1,4.97,;5.7,3.48,;6.79,2.39,;4.21,3.08,;3.81,1.59,;2.33,1.19,;1.24,2.28,;1.64,3.77,;3.12,4.17,;-.25,1.88,;.15,3.37,;-.65,.4,;-1.74,2.28,;-2.83,1.19,;-4.37,1.19,;-4.37,-.35,;-2.83,-.35,;-5.46,-1.44,;-6.79,-.67,;-5.46,-2.98,;-6.79,-3.75,;-6.79,-5.29,;-5.46,-6.06,;-4.12,-5.29,;-2.66,-5.76,;-1.75,-4.52,;-2.66,-3.27,;-4.12,-3.75,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM489963 (US10966980, Example 217) Show SMILES COc1cncc(c1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:14.17,12.12,(3.85,-4.06,;4.25,-2.58,;3.16,-1.49,;1.67,-1.89,;.58,-.8,;.98,.69,;2.47,1.09,;3.56,,;2.87,2.58,;4.35,2.98,;3.27,4.06,;1.53,3.35,;.2,2.58,;-1.29,2.98,;-1.69,1.49,;-.2,1.09,;-3.02,.72,;-4.35,1.49,;-3.02,-.82,;-4.35,-1.59,;-4.35,-3.13,;-3.02,-3.9,;-1.69,-3.13,;-.22,-3.61,;.68,-2.36,;-.22,-1.12,;-1.69,-1.59,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
					More data for this Ligand-Target Pair

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