Compile Data Set for Download or QSAR

Found 1022 hits with Last Name = 'brown' and Initial = 'gd'   

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
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245983 ((2R,3S,4S)-2-Ethyl-3-methyl-N-[3,5-(chloro)phenyl]...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H25Cl2N3O/c1-3-22-16(2)24(28-19-9-5-4-6-10-19)21-11-7-8-12-23(21)30(22)25(31)29-20-14-17(26)13-18(27)15-20/h4-16,22,24,28H,3H2,1-2H3,(H,29,31)/t16-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245937 ((2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(p...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Br)c1 |r| Show InChI InChI=1S/C25H26BrN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245772 ((4-bromophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phe...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C25H25BrN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246518 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H25F3N2O2/c1-3-22-17(2)24(30-19-9-5-4-6-10-19)21-11-7-8-12-23(21)31(22)25(32)18-13-15-20(16-14-18)33-26(27,28)29/h4-17,22,24,30H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245982 ((2R,3S,4S)-N-(3,5-dimethoxyphenyl)-2-ethyl-3-methy...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C27H31N3O3/c1-5-24-18(2)26(28-19-11-7-6-8-12-19)23-13-9-10-14-25(23)30(24)27(31)29-20-15-21(32-3)17-22(16-20)33-4/h6-18,24,26,28H,5H2,1-4H3,(H,29,31)/t18-,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245934 ((2R,3S,4S)-N-(4-chlorophenyl)-2-ethyl-3-methyl-4-(...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-9-5-4-6-10-19)21-11-7-8-12-23(21)29(22)25(30)28-20-15-13-18(26)14-16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245835 ((2R,3S,4S)-N-(3-chlorophenyl)-2-ethyl-3-methyl-4-(...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClN3O/c1-3-22-17(2)24(27-19-11-5-4-6-12-19)21-14-7-8-15-23(21)29(22)25(30)28-20-13-9-10-18(26)16-20/h4-17,22,24,27H,3H2,1-2H3,(H,28,30)/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50089354 (CHEMBL3577945) Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	341	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of muscarinic acetylcholine receptor M1 (unknown origin)				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246517 ((4-chlorophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(ph...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H25ClN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246516 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C26H28N2O2/c1-4-23-18(2)25(27-20-10-6-5-7-11-20)22-12-8-9-13-24(22)28(23)26(29)19-14-16-21(30-3)17-15-19/h5-18,23,25,27H,4H2,1-3H3/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245981 ((2R,3S,4S)-2-ethyl-3-methyl-N-phenyl-4-(phenylamin...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H27N3O/c1-3-22-18(2)24(26-19-12-6-4-7-13-19)21-16-10-11-17-23(21)28(22)25(29)27-20-14-8-5-9-15-20/h4-18,22,24,26H,3H2,1-2H3,(H,27,29)/t18-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245935 ((2R,3S,4S)-2-ethyl-N-(3-methoxyphenyl)-3-methyl-4-...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(OC)c1 |r| Show InChI InChI=1S/C26H29N3O2/c1-4-23-18(2)25(27-19-11-6-5-7-12-19)22-15-8-9-16-24(22)29(23)26(30)28-20-13-10-14-21(17-20)31-3/h5-18,23,25,27H,4H2,1-3H3,(H,28,30)/t18-,23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50246468 (((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...) Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C25H25N3O3/c1-3-22-17(2)24(26-19-9-5-4-6-10-19)21-11-7-8-12-23(21)27(22)25(29)18-13-15-20(16-14-18)28(30)31/h4-17,22,24,26H,3H2,1-2H3/t17-,22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50245984 (CHEMBL516508 | cis-(2(R)-ethyl-4-(phenylamino)-3,4...) Show SMILES CC[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C25H26N2O2/c1-3-20-17-23(26-19-9-5-4-6-10-19)22-11-7-8-12-24(22)27(20)25(28)18-13-15-21(29-2)16-14-18/h4-16,20,23,26H,3,17H2,1-2H3/t20-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells				Bioorg Med Chem Lett 18: 6222-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.102 BindingDB Entry DOI: 10.7270/Q26Q1X42
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50089354 (CHEMBL3577945) Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	865	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of muscarinic acetylcholine receptor M4 (unknown origin)				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50089354 (CHEMBL3577945) Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of muscarinic acetylcholine receptor M2 (unknown origin)				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM141485 (US8921368, 293) Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26N4O2/c1-21(2)18(9-10-22(21,3)28)25-19-16(20(23)27)12-24-26-13-15(11-17(19)26)14-7-5-4-6-8-14/h4-8,11-13,18,25,28H,9-10H2,1-3H3,(H2,23,27)/t18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM245763 (US9428511, 55) Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)c1ccc(nn1)C#N Show InChI InChI=1S/C24H27N11O/c1-3-15-12-33(21-6-5-17(9-25)31-32-21)8-7-19(15)29-22-18(23(26)36)11-28-35-14-20(30-24(22)35)16-10-27-34(4-2)13-16/h5-6,10-11,13-15,19,29H,3-4,7-8,12H2,1-2H3,(H2,26,36)/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141459 (US8921368, 123) Show SMILES CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N Show InChI InChI=1S/C21H21N5O/c1-21(13-22)9-5-8-18(21)25-19-16(20(23)27)11-24-26-12-15(10-17(19)26)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,25H,5,8-9H2,1H3,(H2,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141485 (US8921368, 293) Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26N4O2/c1-21(2)18(9-10-22(21,3)28)25-19-16(20(23)27)12-24-26-13-15(11-17(19)26)14-7-5-4-6-8-14/h4-8,11-13,18,25,28H,9-10H2,1-3H3,(H2,23,27)/t18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089354 (CHEMBL3577945) Show SMILES CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM245770 (US9428511, 62) Show SMILES Cn1ncc2cc(ccc12)-c1cn2ncc(C(N)=O)c(N[C@@H]3CN(C[C@@H]3CF)C(=O)C3(CC3)C#N)c2n1 Show InChI InChI=1S/C25H24FN9O2/c1-33-20-3-2-14(6-15(20)8-29-33)19-12-35-23(32-19)21(17(9-30-35)22(28)36)31-18-11-34(10-16(18)7-26)24(37)25(13-27)4-5-25/h2-3,6,8-9,12,16,18,31H,4-5,7,10-11H2,1H3,(H2,28,36)/t16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141480 (US8921368, 271) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccc(CO)cc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C23H29N5O2/c1-22(2)19(8-9-23(22,3)25)27-20-17(21(24)30)11-26-28-12-16(10-18(20)28)15-6-4-14(13-29)5-7-15/h4-7,10-12,19,27,29H,8-9,13,25H2,1-3H3,(H2,24,30)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141498 (US8921368, 338) Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(C(N)=O)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H28N6O3/c1-22(2)17(7-8-23(22,3)21(25)31)28-19-15(20(24)30)11-27-29-12-14(9-16(19)29)13-5-6-18(32-4)26-10-13/h5-6,9-12,17,28H,7-8H2,1-4H3,(H2,24,30)(H2,25,31)/t17-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50557876 (CHEMBL4764460) Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(n2)C(C)(C)C)C1=O)NC(C)(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00082 BindingDB Entry DOI: 10.7270/Q24J0JS9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM245761 (US9428511, 53) Show SMILES CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1 Show InChI InChI=1S/C24H27N11O/c1-4-34-12-15(10-27-34)18-13-35-23(29-18)21(17(11-28-35)22(26)36)30-19-7-8-33(14-24(19,2)3)20-6-5-16(9-25)31-32-20/h5-6,10-13,19,30H,4,7-8,14H2,1-3H3,(H2,26,36)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141456 (US8921368, 72) Show SMILES Cc1cccc(c1)-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C21H23FN4O/c1-13-5-3-6-14(9-13)15-10-17-19(25-18-7-4-8-21(18,2)22)16(20(23)27)11-24-26(17)12-15/h3,5-6,9-12,18,25H,4,7-8H2,1-2H3,(H2,23,27)/t18-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141497 (US8921368, 337) Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C23H27N5O2/c1-22(2)18(9-10-23(22,3)21(25)30)27-19-16(20(24)29)12-26-28-13-15(11-17(19)28)14-7-5-4-6-8-14/h4-8,11-13,18,27H,9-10H2,1-3H3,(H2,24,29)(H2,25,30)/t18-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50509862 (CHEMBL4457723) Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NS(C)(=O)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C24H33F3N6O3S/c1-14(2)32(3)16-6-8-21(20(12-16)31-37(4,35)36)33-10-9-19(23(33)34)30-22-17-11-15(24(25,26)27)5-7-18(17)28-13-29-22/h5,7,11,13-14,16,19-21,31H,6,8-10,12H2,1-4H3,(H,28,29,30)/t16-,19+,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins				ACS Med Chem Lett 10: 300-305 (2019) Article DOI: 10.1021/acsmedchemlett.8b00439 BindingDB Entry DOI: 10.7270/Q22R3W0Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089366 (CHEMBL3577948) Show SMILES CC(C)[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C26H36F3N5O/c1-15(2)19-13-18(33(5)16(3)4)7-9-23(19)34-11-10-22(25(34)35)32-24-20-12-17(26(27,28)29)6-8-21(20)30-14-31-24/h6,8,12,14-16,18-19,22-23H,7,9-11,13H2,1-5H3,(H,30,31,32)/t18-,19+,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM245762 (US9428511, 54) Show SMILES Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1 Show InChI InChI=1S/C23H25N11O/c1-23(2)13-33(19-5-4-15(8-24)30-31-19)7-6-18(23)29-20-16(21(25)35)10-27-34-12-17(28-22(20)34)14-9-26-32(3)11-14/h4-5,9-12,18,29H,6-7,13H2,1-3H3,(H2,25,35)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM245772 (US9428511, 64) Show SMILES NC(=O)c1cnn2cc(nc2c1N[C@@H]1CN(C[C@@H]1CF)C(=O)C1(CC1)C#N)-c1ccc2CC(=O)Nc2c1 Show InChI InChI=1S/C25H23FN8O3/c26-7-15-9-33(24(37)25(12-27)3-4-25)10-18(15)31-21-16(22(28)36)8-29-34-11-19(32-23(21)34)13-1-2-14-6-20(35)30-17(14)5-13/h1-2,5,8,11,15,18,31H,3-4,6-7,9-10H2,(H2,28,36)(H,30,35)/t15-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089356 (CHEMBL3577933) Show SMILES CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089355 (CHEMBL3577932) Show SMILES CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C24H38F3N5O4/c1-6-7-20(33)19(12-28-11-14(2)3)31-21(34)13-29-22(35)17-10-16(24(25,26)27)8-9-18(17)32-23(36)30-15(4)5/h8-10,14-15,19-20,28,33H,6-7,11-13H2,1-5H3,(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435764 (CHEMBL2392692) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM245779 (US9428511, 72) Show SMILES CC[C@H]1CN(C[C@H]1Nc1c(cnn2cc(nc12)-c1cn[nH]c1)C(N)=O)C(=O)C1(CC1)C#N Show InChI InChI=1S/C21H23N9O2/c1-2-12-8-29(20(32)21(11-22)3-4-21)9-15(12)27-17-14(18(23)31)7-26-30-10-16(28-19(17)30)13-5-24-25-6-13/h5-7,10,12,15,27H,2-4,8-9H2,1H3,(H2,23,31)(H,24,25)/t12-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141488 (US8921368, 304) Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C21H24N4O/c1-21(2)10-6-9-18(21)24-19-16(20(22)26)12-23-25-13-15(11-17(19)25)14-7-4-3-5-8-14/h3-5,7-8,11-13,18,24H,6,9-10H2,1-2H3,(H2,22,26)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141473 (US8921368, 192) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccnc2)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C21H26N6O/c1-20(2)17(6-7-21(20,3)23)26-18-15(19(22)28)11-25-27-12-14(9-16(18)27)13-5-4-8-24-10-13/h4-5,8-12,17,26H,6-7,23H2,1-3H3,(H2,22,28)/t17-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM245762 (US9428511, 54) Show SMILES Cn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1 Show InChI InChI=1S/C23H25N11O/c1-23(2)13-33(19-5-4-15(8-24)30-31-19)7-6-18(23)29-20-16(21(25)35)10-27-34-12-17(28-22(20)34)14-9-26-32(3)11-14/h4-5,9-12,18,29H,6-7,13H2,1-3H3,(H2,25,35)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM245760 (US9428511, 52) Show SMILES CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cnn(C)c1)C(N)=O)c1ccc(cn1)C#N Show InChI InChI=1S/C23H24N10O/c1-3-15-11-32(20-5-4-14(6-24)7-26-20)12-18(15)29-21-17(22(25)34)9-28-33-13-19(30-23(21)33)16-8-27-31(2)10-16/h4-5,7-10,13,15,18,29H,3,11-12H2,1-2H3,(H2,25,34)/t15-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141457 (US8921368, 94) Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)-c1cccc(c1)C(N)=O)C(N)=O |r| Show InChI InChI=1S/C21H22FN5O2/c1-21(22)7-3-6-17(21)26-18-15(20(24)29)10-25-27-11-14(9-16(18)27)12-4-2-5-13(8-12)19(23)28/h2,4-5,8-11,17,26H,3,6-7H2,1H3,(H2,23,28)(H2,24,29)/t17-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141463 (US8921368, 159) Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cc(cc12)N1CCCC1=O)C(N)=O |r| Show InChI InChI=1S/C18H22FN5O2/c1-18(19)6-2-4-14(18)22-16-12(17(20)26)9-21-24-10-11(8-13(16)24)23-7-3-5-15(23)25/h8-10,14,22H,2-7H2,1H3,(H2,20,26)/t14-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089364 (CHEMBL3577946) Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089364 (CHEMBL3577946) Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM245763 (US9428511, 55) Show SMILES CC[C@@H]1CN(CC[C@H]1Nc1c(cnn2cc(nc12)-c1cnn(CC)c1)C(N)=O)c1ccc(nn1)C#N Show InChI InChI=1S/C24H27N11O/c1-3-15-12-33(21-6-5-17(9-25)31-32-21)8-7-19(15)29-22-18(23(26)36)11-28-35-14-20(30-24(22)35)16-10-27-34(4-2)13-16/h5-6,10-11,13-15,19,29H,3-4,7-8,12H2,1-2H3,(H2,26,36)/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM245761 (US9428511, 53) Show SMILES CCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CCN(CC3(C)C)c3ccc(nn3)C#N)c2n1 Show InChI InChI=1S/C24H27N11O/c1-4-34-12-15(10-27-34)18-13-35-23(29-18)21(17(11-28-35)22(26)36)30-19-7-8-33(14-24(19,2)3)20-6-5-16(9-25)31-32-20/h5-6,10-13,19,30H,4,7-8,14H2,1-3H3,(H2,26,36)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM245734 (US9428511, 26) Show SMILES C[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1cn(C)nc1C)C(N)=O)C(=O)C1(CC1)C#N Show InChI InChI=1S/C22H25N9O2/c1-12-7-30(21(33)22(11-23)4-5-22)9-16(12)26-18-14(19(24)32)6-25-31-10-17(27-20(18)31)15-8-29(3)28-13(15)2/h6,8,10,12,16,26H,4-5,7,9H2,1-3H3,(H2,24,32)/t12-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50557877 (CHEMBL4790208) Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(nc23)C(C)(C)C)C1=O)NC(C)(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluor...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00082 BindingDB Entry DOI: 10.7270/Q24J0JS9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM245722 (US9428511, 14) Show SMILES CCCn1cc(cn1)-c1cn2ncc(C(N)=O)c(N[C@H]3CN(C[C@H]3C)c3ncc(cn3)C#N)c2n1 Show InChI InChI=1S/C23H25N11O/c1-3-4-33-11-16(8-28-33)19-13-34-22(31-19)20(17(9-29-34)21(25)35)30-18-12-32(10-14(18)2)23-26-6-15(5-24)7-27-23/h6-9,11,13-14,18,30H,3-4,10,12H2,1-2H3,(H2,25,35)/t14-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM245751 (US9428511, 43) Show SMILES CC[C@@H]1CN(C[C@@H]1Nc1c(cnn2cc(nc12)-c1c(C)nn(C)c1C)C(N)=O)C(=O)C1(CC1)C#N Show InChI InChI=1S/C24H29N9O2/c1-5-15-9-32(23(35)24(12-25)6-7-24)10-17(15)28-20-16(21(26)34)8-27-33-11-18(29-22(20)33)19-13(2)30-31(4)14(19)3/h8,11,15,17,28H,5-7,9-10H2,1-4H3,(H2,26,34)/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and su...				US Patent US9428511 (2016) BindingDB Entry DOI: 10.7270/Q27080B9
					More data for this Ligand-Target Pair

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