Compile Data Set for Download or QSAR

Found 5449 hits with Last Name = 'henry' and Initial = 'm'   

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
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123070 (US8742115, 9) Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C29H36ClN5O3/c1-19-15-21(5-6-24(19)30)18-33-13-9-23(10-14-33)35-25(7-8-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-3-4-12-34/h5-6,15-17,23,25H,3-4,7-14,18H2,1-2H3,(H,31,32,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123096 (US10213421, Example 10 | US11612596, Example 10. |...) Show SMILES CCN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C28H36ClN5O3/c1-5-32(4)28(37)21-15-19(3)30-25(16-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-20-6-7-23(29)18(2)14-20/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123082 (US10213421, Example 8 | US11612596, Example 8. | U...) Show SMILES CC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)33(5)29(38)22-15-20(4)31-26(16-22)32-28(37)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)19(3)14-21/h6-7,14-16,18,23,25H,8-13,17H2,1-5H3,(H,31,32,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123092 (US8742115, 32) Show SMILES CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)nc(c1)C1CC1 |r| Show InChI InChI=1S/C29H36ClN5O3/c1-18-14-19(4-7-23(18)30)17-34-12-10-22(11-13-34)35-25(8-9-27(35)36)28(37)32-26-16-21(29(38)33(2)3)15-24(31-26)20-5-6-20/h4,7,14-16,20,22,25H,5-6,8-13,17H2,1-3H3,(H,31,32,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123072 (US10213421, Example 2 | US11612596, Example 2. | U...) Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123076 (US10213421, Example 3 | US11612596, Example 3. | U...) Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC1CC1 |r| Show InChI InChI=1S/C29H36ClN5O3/c1-18-13-21(5-6-24(18)30)17-34-11-9-23(10-12-34)35-25(7-8-27(35)36)29(38)33-26-15-22(14-19(2)32-26)28(37)31-16-20-3-4-20/h5-6,13-15,20,23,25H,3-4,7-12,16-17H2,1-2H3,(H,31,37)(H,32,33,38)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123080 (US10213421, Example 6 | US11612596, Example 6. | U...) Show SMILES CCC(C)NC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C29H38ClN5O3/c1-5-19(3)32-28(37)22-15-20(4)31-26(16-22)33-29(38)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)18(2)14-21/h6-7,14-16,19,23,25H,5,8-13,17H2,1-4H3,(H,32,37)(H,31,33,38)/t19?,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123089 (US8742115, 29) Show SMILES CC(C)c1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)24-15-21(29(38)33(4)5)16-26(31-24)32-28(37)25-8-9-27(36)35(25)22-10-12-34(13-11-22)17-20-6-7-23(30)19(3)14-20/h6-7,14-16,18,22,25H,8-13,17H2,1-5H3,(H,31,32,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123083 (US10213421, Example 9 | US11612596, Example 9. | U...) Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NC1CCC1 |r| Show InChI InChI=1S/C29H36ClN5O3/c1-18-14-20(6-7-24(18)30)17-34-12-10-23(11-13-34)35-25(8-9-27(35)36)29(38)33-26-16-21(15-19(2)31-26)28(37)32-22-4-3-5-22/h6-7,14-16,22-23,25H,3-5,8-13,17H2,1-2H3,(H,32,37)(H,31,33,38)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123078 (US10213421, Example 4 | US11612596, Example 4. | U...) Show SMILES CC(C)CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)16-31-28(37)22-14-20(4)32-26(15-22)33-29(38)25-7-8-27(36)35(25)23-9-11-34(12-10-23)17-21-5-6-24(30)19(3)13-21/h5-6,13-15,18,23,25H,7-12,16-17H2,1-4H3,(H,31,37)(H,32,33,38)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123079 (US10213421, Example 5 | US11612596, Example 5. | U...) Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC(F)F |r| Show InChI InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123073 (US8742115, 12) Show SMILES Cc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(ccn2)C(=O)N2CCCC2)ccc1Cl |r| Show InChI InChI=1S/C28H34ClN5O3/c1-19-16-20(4-5-23(19)29)18-32-14-9-22(10-15-32)34-24(6-7-26(34)35)27(36)31-25-17-21(8-11-30-25)28(37)33-12-2-3-13-33/h4-5,8,11,16-17,22,24H,2-3,6-7,9-10,12-15,18H2,1H3,(H,30,31,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123081 (US10213421, Example 7 | US11612596, Example 7. | U...) Show SMILES CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C30H40ClN5O3/c1-6-21(4)34(5)30(39)23-16-20(3)32-27(17-23)33-29(38)26-9-10-28(37)36(26)24-11-13-35(14-12-24)18-22-7-8-25(31)19(2)15-22/h7-8,15-17,21,24,26H,6,9-14,18H2,1-5H3,(H,32,33,38)/t21?,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123084 (US8742115, 24) Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Br)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C27H34BrN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123071 (US8742115, 10) Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H36ClN5O4/c1-19-15-21(3-4-24(19)30)18-33-9-7-23(8-10-33)35-25(5-6-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-13-39-14-12-34/h3-4,15-17,23,25H,5-14,18H2,1-2H3,(H,31,32,37)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123077 (US8742115, 16) Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCC1 |r| Show InChI InChI=1S/C28H34ClN5O3/c1-18-14-20(4-5-23(18)29)17-32-12-8-22(9-13-32)34-24(6-7-26(34)35)27(36)31-25-16-21(15-19(2)30-25)28(37)33-10-3-11-33/h4-5,14-16,22,24H,3,6-13,17H2,1-2H3,(H,30,31,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123094 (US8742115, 34) Show SMILES CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)nc(c1)C#C |r| Show InChI InChI=1S/C28H32ClN5O3/c1-5-21-15-20(28(37)32(3)4)16-25(30-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-19-6-7-23(29)18(2)14-19/h1,6-7,14-16,22,24H,8-13,17H2,2-4H3,(H,30,31,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123093 (US8742115, 33) Show SMILES CCc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(cc(C)n2)C(=O)N(C)C)ccc1Cl |r| Show InChI InChI=1S/C28H36ClN5O3/c1-5-20-15-19(6-7-23(20)29)17-33-12-10-22(11-13-33)34-24(8-9-26(34)35)27(36)31-25-16-21(14-18(2)30-25)28(37)32(3)4/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123085 (US8742115, 25) Show SMILES CCc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r| Show InChI InChI=1S/C28H36ClN5O3/c1-5-21-15-20(28(37)32(3)4)16-25(30-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-19-6-7-23(29)18(2)14-19/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123069 (US8742115, 8) Show SMILES CN(C)C(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C26H32ClN5O3/c1-17-14-18(4-5-21(17)27)16-31-12-9-20(10-13-31)32-22(6-7-24(32)33)25(34)29-23-15-19(8-11-28-23)26(35)30(2)3/h4-5,8,11,14-15,20,22H,6-7,9-10,12-13,16H2,1-3H3,(H,28,29,34)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123068 (US10213421, Example 1 | US11612596, Example 1. | U...) Show SMILES CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C26H32ClN5O3/c1-16-12-18(4-5-21(16)27)15-31-10-8-20(9-11-31)32-22(6-7-24(32)33)26(35)30-23-14-19(25(34)28-3)13-17(2)29-23/h4-5,12-14,20,22H,6-11,15H2,1-3H3,(H,28,34)(H,29,30,35)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123088 (US8742115, 28) Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 |r| Show InChI InChI=1S/C26H31Cl2N5O3/c1-16-12-18(26(36)31(2)3)14-23(29-16)30-25(35)22-6-7-24(34)33(22)19-8-10-32(11-9-19)15-17-4-5-20(27)21(28)13-17/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,29,30,35)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123074 (US8742115, 13) Show SMILES Cc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(ccn2)C(=O)N2CCOCC2)ccc1Cl |r| Show InChI InChI=1S/C28H34ClN5O4/c1-19-16-20(2-3-23(19)29)18-32-10-7-22(8-11-32)34-24(4-5-26(34)35)27(36)31-25-17-21(6-9-30-25)28(37)33-12-14-38-15-13-33/h2-3,6,9,16-17,22,24H,4-5,7-8,10-15,18H2,1H3,(H,30,31,36)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	19.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123062 (US8742115, 1) Show SMILES CNC(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C25H30ClN5O3/c1-16-13-17(3-4-20(16)26)15-30-11-8-19(9-12-30)31-21(5-6-23(31)32)25(34)29-22-14-18(7-10-28-22)24(33)27-2/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	23.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123064 (US8742115, 3) Show SMILES COc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C24H29ClN4O3/c1-16-13-17(3-4-20(16)25)15-28-11-8-18(9-12-28)29-21(5-6-23(29)30)24(31)27-22-14-19(32-2)7-10-26-22/h3-4,7,10,13-14,18,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	46.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123095 (US8742115, 35) Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3cc(C)c(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C28H36ClN5O3/c1-17-12-20(13-18(2)26(17)29)16-33-10-8-22(9-11-33)34-23(6-7-25(34)35)27(36)31-24-15-21(14-19(3)30-24)28(37)32(4)5/h12-15,22-23H,6-11,16H2,1-5H3,(H,30,31,36)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	61.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123065 (US8742115, 4) Show SMILES Cc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C24H29ClN4O2/c1-16-7-10-26-22(13-16)27-24(31)21-5-6-23(30)29(21)19-8-11-28(12-9-19)15-18-3-4-20(25)17(2)14-18/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	67.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123063 (US8742115, 2) Show SMILES Cc1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1 |r| Show InChI InChI=1S/C24H29ClN4O2/c1-16-14-18(6-7-20(16)25)15-28-12-10-19(11-13-28)29-21(8-9-23(29)30)24(31)27-22-5-3-4-17(2)26-22/h3-7,14,19,21H,8-13,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	69.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123090 (US8742115, 30) Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(F)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C27H34FN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	70.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123067 (US8742115, 6) Show SMILES CNC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1 |r| Show InChI InChI=1S/C25H30ClN5O3/c1-16-14-17(6-7-19(16)26)15-30-12-10-18(11-13-30)31-21(8-9-23(31)32)25(34)29-22-5-3-4-20(28-22)24(33)27-2/h3-7,14,18,21H,8-13,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123091 (US8742115, 31) Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(c3)C(F)(F)F)CC2)c1 |r| Show InChI InChI=1S/C27H31ClF3N5O3/c1-16-12-18(26(39)34(2)3)14-23(32-16)33-25(38)22-6-7-24(37)36(22)19-8-10-35(11-9-19)15-17-4-5-21(28)20(13-17)27(29,30)31/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,32,33,38)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	87.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123066 (US8742115, 5) Show SMILES CCc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r| Show InChI InChI=1S/C25H31ClN4O2/c1-3-18-8-11-27-23(15-18)28-25(32)22-6-7-24(31)30(22)20-9-12-29(13-10-20)16-19-4-5-21(26)17(2)14-19/h4-5,8,11,14-15,20,22H,3,6-7,9-10,12-13,16H2,1-2H3,(H,27,28,32)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123086 (US8742115, 26) Show SMILES COc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r| Show InChI InChI=1S/C27H34ClN5O4/c1-17-13-18(5-6-21(17)28)16-32-11-9-20(10-12-32)33-22(7-8-25(33)34)26(35)30-23-14-19(27(36)31(2)3)15-24(29-23)37-4/h5-6,13-15,20,22H,7-12,16H2,1-4H3,(H,29,30,35)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123087 (US8742115, 27) Show SMILES CCCCc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r| Show InChI InChI=1S/C30H40ClN5O3/c1-5-6-7-23-17-22(30(39)34(3)4)18-27(32-23)33-29(38)26-10-11-28(37)36(26)24-12-14-35(15-13-24)19-21-8-9-25(31)20(2)16-21/h8-9,16-18,24,26H,5-7,10-15,19H2,1-4H3,(H,32,33,38)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	414	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM123075 (US8742115, 14) Show SMILES CN(C(=O)[C@H]1CCC(=O)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C24H29ClN4O2/c1-17-15-18(6-7-20(17)25)16-28-13-10-19(11-14-28)29-21(8-9-23(29)30)24(31)27(2)22-5-3-4-12-26-22/h3-7,12,15,19,21H,8-11,13-14,16H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...				US Patent US8742115 (2014) BindingDB Entry DOI: 10.7270/Q2V986QD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM67818 (2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...) Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	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	n/a	n/a
Reaction Biology Corp.; Synerga Limited US Patent					Assay Description In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.				US Patent US8592415 (2013) BindingDB Entry DOI: 10.7270/Q218354P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM107139 (US8592415, 24) Show SMILES BrCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C16H12BrN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)	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	n/a	n/a
Reaction Biology Corp.; Synerga Limited US Patent					Assay Description In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.				US Patent US8592415 (2013) BindingDB Entry DOI: 10.7270/Q218354P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM107142 (US8592415, 27) Show SMILES CS(=O)(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1 Show InChI InChI=1S/C17H15N3O4S/c1-25(22,23)24-11-17(21)19-13-6-4-5-12(9-13)16-10-18-14-7-2-3-8-15(14)20-16/h2-10H,11H2,1H3,(H,19,21)	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	n/a	n/a
Reaction Biology Corp.; Synerga Limited US Patent					Assay Description In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.				US Patent US8592415 (2013) BindingDB Entry DOI: 10.7270/Q218354P
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454369 (US10717742, Example Ia-25 | US10882866, Example Ia...) Show SMILES OC(=O)c1ccc2c3C[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C30H23Cl2FN4O3/c31-16-7-9-19-22(11-16)34-29(40)30(19)25(18-2-1-3-20(32)26(18)33)27-24(36(30)13-14-4-5-14)12-23-17-8-6-15(28(38)39)10-21(17)35-37(23)27/h1-3,6-11,14,24-25,27H,4-5,12-13H2,(H,34,40)(H,38,39)/t24-,25-,27+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50097721 (CHEMBL1879790 | EN300-11843) Show SMILES CN1CCN(CC1)c1ccccc1N Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454372 (US10717742, Example Ia-29 | US10882866, Example Ia...) Show SMILES CCCN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H23Cl2FN4O3/c1-2-10-35-23-13-22-16-8-6-14(27(37)38)11-20(16)34-36(22)26(23)24(17-4-3-5-19(31)25(17)32)29(35)18-9-7-15(30)12-21(18)33-28(29)39/h3-9,11-12,23-24,26H,2,10,13H2,1H3,(H,33,39)(H,37,38)/t23-,24-,26+,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454373 (US10717742, Example Ia-30 | US10882866, Example Ia...) Show SMILES CCN1[C@H]2Cc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C28H21Cl2FN4O3/c1-2-34-22-12-21-15-8-6-13(26(36)37)10-19(15)33-35(21)25(22)23(16-4-3-5-18(30)24(16)31)28(34)17-9-7-14(29)11-20(17)32-27(28)38/h3-11,22-23,25H,2,12H2,1H3,(H,32,38)(H,36,37)/t22-,23-,25+,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454403 (US10717742, Example Ib-106 | US10717742, Example I...) Show SMILES OC(=O)c1ccc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc2c1 |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c32-17-7-8-19-21(13-17)36-30(41)31(19)26(18-2-1-3-20(33)27(18)34)25-24(38(31)14-15-4-5-15)10-11-37-23-9-6-16(29(39)40)12-22(23)35-28(25)37/h1-3,6-9,12-13,15,24-26H,4-5,10-11,14H2,(H,36,41)(H,39,40)/t24-,25+,26-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454422 (US10717742, Example Ib-139 | US10717742, Example I...) Show SMILES CCOc1cccc(CN2[C@H]3CCn4c(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C36H29Cl2FN4O4/c1-2-47-22-6-3-5-19(15-22)18-43-29-13-14-42-28-12-9-20(34(44)45)16-27(28)40-33(42)30(29)31(23-7-4-8-25(38)32(23)39)36(43)24-11-10-21(37)17-26(24)41-35(36)46/h3-12,15-17,29-31H,2,13-14,18H2,1H3,(H,41,46)(H,44,45)/t29-,30+,31-,36+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454431 (US10717742, Example Ib-154 | US10717742, Example I...) Show SMILES OC(=O)c1ccc2nc3[C@@H]4[C@H](CCn3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H25Cl2FN4O3/c32-17-7-8-19-22(13-17)36-30(41)31(19)26(18-2-1-3-20(33)27(18)34)25-23(38(31)14-15-4-5-15)10-11-37-24-12-16(29(39)40)6-9-21(24)35-28(25)37/h1-3,6-9,12-13,15,23,25-26H,4-5,10-11,14H2,(H,36,41)(H,39,40)/t23-,25+,26-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454434 (US10717742, Example Ib-157 | US10882866, Example I...) Show SMILES COc1cc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)c3nc2cc1C(O)=O |r| Show InChI InChI=1S/C32H27Cl2FN4O4/c1-43-25-13-24-22(12-18(25)30(40)41)36-29-26-23(9-10-38(24)29)39(14-15-5-6-15)32(27(26)17-3-2-4-20(34)28(17)35)19-8-7-16(33)11-21(19)37-31(32)42/h2-4,7-8,11-13,15,23,26-27H,5-6,9-10,14H2,1H3,(H,37,42)(H,40,41)/t23-,26+,27-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454464 (US10717742, Example Ib-197 | US10882866, Example I...) Show SMILES OC(=O)c1cc2nc3[C@@H]4[C@H](Cn3c2cc1OC(F)(F)F)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H22Cl2F4N4O4/c32-14-6-7-17-19(8-14)39-29(44)30(17)25(15-2-1-3-18(33)26(15)34)24-22(41(30)11-13-4-5-13)12-40-21-10-23(45-31(35,36)37)16(28(42)43)9-20(21)38-27(24)40/h1-3,6-10,13,22,24-25H,4-5,11-12H2,(H,39,44)(H,42,43)/t22-,24+,25-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454468 (US10717742, Example Ib-204 | US10717742, Example I...) Show SMILES Cc1c(ccc2nc3[C@@H]4[C@H](CCn3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C32H27Cl2FN4O3/c1-15-18(30(40)41)8-10-22-28(15)38-12-11-24-25(29(38)36-22)26(19-3-2-4-21(34)27(19)35)32(39(24)14-16-5-6-16)20-9-7-17(33)13-23(20)37-31(32)42/h2-4,7-10,13,16,24-26H,5-6,11-12,14H2,1H3,(H,37,42)(H,40,41)/t24-,25+,26-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM454497 (US10717742, Example Ib-234) Show SMILES COc1cc2n3CC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC(C)C)C(=O)Nc4cc(Cl)ccc54)c3nc2cc1C(N)=O |r| Show InChI InChI=1S/C32H30Cl2FN5O3/c1-15(2)14-40-23-9-10-39-24-13-25(43-3)18(29(36)41)12-22(24)37-30(39)26(23)27(17-5-4-6-20(34)28(17)35)32(40)19-8-7-16(33)11-21(19)38-31(32)42/h4-8,11-13,15,23,26-27H,9-10,14H2,1-3H3,(H2,36,41)(H,38,42)/t23-,26+,27-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 15 μL of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin ...				US Patent US10717742 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PPW
					More data for this Ligand-Target Pair

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