Compile Data Set for Download or QSAR

Found 358 hits with Last Name = 'wang' and Initial = 'lj'   

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 2 (Homo sapiens (Human))	BDBM140256 (US8906911, 65) Show SMILES CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C27H37F3N4O2/c1-2-17-16-36-9-6-23(17)32-20-10-18-4-3-7-26(18,13-20)25(35)34-15-21-12-22(34)14-33(21)24-11-19(5-8-31-24)27(28,29)30/h5,8,11,17-18,20-23,32H,2-4,6-7,9-10,12-16H2,1H3/t17-,18-,20-,21+,22+,23+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	-43.6	28	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140239 (US8906911, 48) Show SMILES FC(F)(F)c1ccc(C#N)c(c1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H37F3N4O/c34-33(35,36)26-9-8-24(19-37)30(16-26)39-20-29-17-28(39)21-40(29)31(41)32-12-4-7-25(32)15-27(18-32)38-13-10-23(11-14-38)22-5-2-1-3-6-22/h1-3,5-6,8-9,16,23,25,27-29H,4,7,10-15,17-18,20-21H2/t25-,27-,28+,29+,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-43.0	51.8	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140254 (US8906911, 63) Show SMILES C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17-,19-,20+,21+,22+,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	-42.4	17.9	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140255 (US8906911, 64) Show SMILES C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17-,19-,20+,21+,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12	-42.0	16.5	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140257 (US8906911, 66) Show SMILES CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C27H37F3N4O2/c1-2-17-16-36-9-6-23(17)32-20-10-18-4-3-7-26(18,13-20)25(35)34-15-21-12-22(34)14-33(21)24-11-19(5-8-31-24)27(28,29)30/h5,8,11,17-18,20-23,32H,2-4,6-7,9-10,12-16H2,1H3/t17-,18-,20-,21+,22+,23-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	-41.8	45.8	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140240 (US8906911, 49) Show SMILES FC(F)(F)c1ccnc(c1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C31H37F3N4O/c32-31(33,34)24-8-12-35-28(16-24)37-19-27-17-26(37)20-38(27)29(39)30-11-4-7-23(30)15-25(18-30)36-13-9-22(10-14-36)21-5-2-1-3-6-21/h1-3,5-6,8,12,16,22-23,25-27H,4,7,9-11,13-15,17-20H2/t23-,25-,26+,27+,30-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	-41.5	37	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140244 (US8906911, 53) Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H37F3N4O3/c1-34(24-7-9-39-17-26(24)38-2)21-10-19-4-3-8-28(19,13-21)27(37)36-16-22-12-23(36)15-35(22)25-11-20(29(30,31)32)6-5-18(25)14-33/h5-6,11,19,21-24,26H,3-4,7-10,12-13,15-17H2,1-2H3/t19-,21-,22+,23+,24+,26-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	-41.4	47.9	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140237 (US8906911, 46) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H35ClF3N3O3/c1-36-24-15-37-8-6-23(24)32-17-9-16-3-2-7-26(16,12-17)25(35)34-14-19-10-20(34)13-33(19)18-4-5-22(28)21(11-18)27(29,30)31/h4-5,11,16-17,19-20,23-24,32H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17	-41.2	17.6	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140242 (US8906911, 51) Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H37ClF3N3O3/c1-33(24-7-9-38-16-25(24)37-2)19-10-17-4-3-8-27(17,13-19)26(36)35-15-20-11-21(35)14-34(20)18-5-6-23(29)22(12-18)28(30,31)32/h5-6,12,17,19-21,24-25H,3-4,7-11,13-16H2,1-2H3/t17-,19-,20+,21+,24+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	21	-40.7	43.3	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140197 (US8906911, 6) Show SMILES CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(cnn1)C(F)(F)F |r| Show InChI InChI=1S/C25H34F3N5O3/c1-35-21-14-36-6-4-20(21)30-17-7-15-3-2-5-24(15,10-17)23(34)33-13-18-9-19(33)12-32(18)22-8-16(11-29-31-22)25(26,27)28/h8,11,15,17-21,30H,2-7,9-10,12-14H2,1H3/t15-,17-,18+,19+,20-,21-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28	-40.1	32.8	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140206 (US8906911, 15) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H35F4N3O3/c1-36-24-15-37-8-6-23(24)32-17-9-16-3-2-7-26(16,12-17)25(35)34-14-19-10-20(34)13-33(19)18-4-5-22(28)21(11-18)27(29,30)31/h4-5,11,16-17,19-20,23-24,32H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	29	-40.0	34.7	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140198 (US8906911, 7) Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C27H37F3N4O3/c1-32(22-6-9-37-16-23(22)36-2)19-10-17-4-3-7-26(17,13-19)25(35)34-15-20-12-21(34)14-33(20)24-11-18(5-8-31-24)27(28,29)30/h5,8,11,17,19-23H,3-4,6-7,9-10,12-16H2,1-2H3/t17-,19-,20+,21+,22+,23-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	30	-39.9	65.7	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140205 (US8906911, 14) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C27H35F4N3O3/c1-36-24-15-37-8-6-22(24)32-18-9-16-3-2-7-26(16,12-18)25(35)34-14-19-11-20(34)13-33(19)23-10-17(27(29,30)31)4-5-21(23)28/h4-5,10,16,18-20,22,24,32H,2-3,6-9,11-15H2,1H3/t16-,18-,19+,20+,22+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31	-39.8	43	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140219 (US8906911, 28) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C28H35F3N4O3/c1-37-25-16-38-8-6-23(25)33-20-9-18-3-2-7-27(18,12-20)26(36)35-15-21-11-22(35)14-34(21)24-10-19(28(29,30)31)5-4-17(24)13-32/h4-5,10,18,20-23,25,33H,2-3,6-9,11-12,14-16H2,1H3/t18-,20-,21+,22+,23+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	-39.8	19.8	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140247 (US8906911, 56) Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H37F3N4O3/c1-34(25-7-9-39-17-26(25)38-2)21-10-19-4-3-8-28(19,13-21)27(37)36-16-22-11-23(36)15-35(22)20-6-5-18(14-33)24(12-20)29(30,31)32/h5-6,12,19,21-23,25-26H,3-4,7-11,13,15-17H2,1-2H3/t19-,21-,22+,23+,25+,26-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	-39.8	46	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140192 (US8906911, 1) Show SMILES CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H35F3N4O3/c1-35-22-15-36-8-5-21(22)31-18-9-16-3-2-6-25(16,12-18)24(34)33-14-19-11-20(33)13-32(19)23-10-17(4-7-30-23)26(27,28)29/h4,7,10,16,18-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,18-,19+,20+,21-,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	-39.8	54.9	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140231 (US8906911, 40) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C26H35Cl2N3O3/c1-33-24-15-34-8-6-23(24)29-17-9-16-3-2-7-26(16,12-17)25(32)31-14-19-10-20(31)13-30(19)18-4-5-21(27)22(28)11-18/h4-5,11,16-17,19-20,23-24,29H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	38	-39.4	41.5	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140243 (US8906911, 52) Show SMILES CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H37F6N3O3/c1-36(23-7-9-41-16-25(23)40-2)19-10-17-4-3-8-27(17,13-19)26(39)38-15-20-12-21(38)14-37(20)24-11-18(28(30,31)32)5-6-22(24)29(33,34)35/h5-6,11,17,19-21,23,25H,3-4,7-10,12-16H2,1-2H3/t17-,19-,20+,21+,23+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	49	-38.8	83.9	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140193 (US8906911, 2) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H35F3N4O3/c1-35-22-15-36-8-5-21(22)31-18-9-16-3-2-6-25(16,12-18)24(34)33-14-19-11-20(33)13-32(19)23-10-17(4-7-30-23)26(27,28)29/h4,7,10,16,18-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,18-,19+,20+,21+,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	60	-38.3	76.7	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140230 (US8906911, 39) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H35F3N4O3/c1-37-25-16-38-8-6-24(25)33-19-9-18-3-2-7-27(18,12-19)26(36)35-15-21-10-22(35)14-34(21)20-5-4-17(13-32)23(11-20)28(29,30)31/h4-5,11,18-19,21-22,24-25,33H,2-3,6-10,12,14-16H2,1H3/t18-,19-,21+,22+,24+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	66	-38.1	55.3	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140252 (US8906911, 61) Show SMILES C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H35F3N4O2/c1-16-15-35-8-5-22(16)31-19-9-17-3-2-6-25(17,12-19)24(34)33-14-20-11-21(33)13-32(20)23-10-18(4-7-30-23)26(27,28)29/h4,7,10,16-17,19-22,31H,2-3,5-6,8-9,11-15H2,1H3/t16-,17+,19+,20-,21-,22-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	69	-38.0	100	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140238 (US8906911, 47) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)c(c1)C#N |r| Show InChI InChI=1S/C27H35ClN4O3/c1-34-25-16-35-8-6-24(25)30-19-10-18-3-2-7-27(18,12-19)26(33)32-15-21-11-22(32)14-31(21)20-4-5-23(28)17(9-20)13-29/h4-5,9,18-19,21-22,24-25,30H,2-3,6-8,10-12,14-16H2,1H3/t18-,19-,21+,22+,24+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	77	-37.7	49.8	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140241 (US8906911, 50) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H35F6N3O3/c1-39-24-15-40-8-6-22(24)35-18-9-16-3-2-7-26(16,12-18)25(38)37-14-19-11-20(37)13-36(19)23-10-17(27(29,30)31)4-5-21(23)28(32,33)34/h4-5,10,16,18-20,22,24,35H,2-3,6-9,11-15H2,1H3/t16-,18-,19+,20+,22+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	78	-37.7	25.9	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140196 (US8906911, 5) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(cnn1)C(F)(F)F |r| Show InChI InChI=1S/C25H34F3N5O3/c1-35-21-14-36-6-4-20(21)30-17-7-15-3-2-5-24(15,10-17)23(34)33-13-18-9-19(33)12-32(18)22-8-16(11-29-31-22)25(26,27)28/h8,11,15,17-21,30H,2-7,9-10,12-14H2,1H3/t15-,17-,18+,19+,20+,21-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	104	-37.0	140	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140211 (US8906911, 20) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C26H35ClFN3O3/c1-33-24-15-34-8-6-23(24)29-17-9-16-3-2-7-26(16,12-17)25(32)31-14-19-10-20(31)13-30(19)18-4-5-22(28)21(27)11-18/h4-5,11,16-17,19-20,23-24,29H,2-3,6-10,12-15H2,1H3/t16-,17-,19+,20+,23+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	112	-36.9	182	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140213 (US8906911, 22) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H35F3N4O3/c1-35-21-15-36-9-7-20(21)30-17-10-16-4-3-8-25(16,12-17)24(34)33-14-18-11-19(33)13-32(18)23-6-2-5-22(31-23)26(27,28)29/h2,5-6,16-21,30H,3-4,7-15H2,1H3/t16-,17-,18+,19+,20+,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	120	-36.7	153	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140207 (US8906911, 16) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C)C(F)(F)F |r| Show InChI InChI=1S/C28H38F3N3O3/c1-17-5-6-19(28(29,30)31)11-24(17)33-14-22-12-21(33)15-34(22)26(35)27-8-3-4-18(27)10-20(13-27)32-23-7-9-37-16-25(23)36-2/h5-6,11,18,20-23,25,32H,3-4,7-10,12-16H2,1-2H3/t18-,20-,21+,22+,23+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	199	-35.6	106	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140209 (US8906911, 18) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H36F3N3O3/c1-35-24-16-36-9-7-23(24)31-19-10-17-5-3-8-26(17,13-19)25(34)33-15-21-12-22(33)14-32(21)20-6-2-4-18(11-20)27(28,29)30/h2,4,6,11,17,19,21-24,31H,3,5,7-10,12-16H2,1H3/t17-,19-,21+,22+,23+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	207	-35.5	76.4	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140203 (US8906911, 12) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H34F3N5O3/c1-35-20-14-36-8-5-19(20)30-16-9-15-3-2-6-24(15,11-16)22(34)32-12-18-10-17(32)13-33(18)23-29-7-4-21(31-23)25(26,27)28/h4,7,15-20,30H,2-3,5-6,8-14H2,1H3/t15-,16-,17+,18+,19+,20-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	261	-34.9	194	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140216 (US8906911, 25) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(F)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H35F4N3O3/c1-36-24-15-37-6-4-23(24)32-19-8-16-3-2-5-26(16,12-19)25(35)34-14-21-11-22(34)13-33(21)20-9-17(27(29,30)31)7-18(28)10-20/h7,9-10,16,19,21-24,32H,2-6,8,11-15H2,1H3/t16-,19-,21+,22+,23+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	271	-34.8	92.2	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140210 (US8906911, 19) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H38F3N3O3/c1-17-5-6-20(12-23(17)28(29,30)31)33-14-22-11-21(33)15-34(22)26(35)27-8-3-4-18(27)10-19(13-27)32-24-7-9-37-16-25(24)36-2/h5-6,12,18-19,21-22,24-25,32H,3-4,7-11,13-16H2,1-2H3/t18-,19-,21+,22+,24+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	306	-34.6	233	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140218 (US8906911, 27) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(n1)C(F)(F)F |r| Show InChI InChI=1S/C25H34F3N5O3/c1-35-20-14-36-8-5-19(20)30-16-9-15-3-2-6-24(15,11-16)23(34)33-13-17-10-18(33)12-32(17)21-4-7-29-22(31-21)25(26,27)28/h4,7,15-20,30H,2-3,5-6,8-14H2,1H3/t15-,16-,17+,18+,19+,20-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	444	-33.7	391	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140220 (US8906911, 29) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C27H36F3N3O4/c1-35-24-16-36-9-7-23(24)31-18-10-17-4-3-8-26(17,13-18)25(34)33-15-20-11-21(33)14-32(20)19-5-2-6-22(12-19)37-27(28,29)30/h2,5-6,12,17-18,20-21,23-24,31H,3-4,7-11,13-16H2,1H3/t17-,18-,20+,21+,23+,24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	473	-33.6	148	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140251 (US8906911, 60) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C25H41N3O5/c1-24(2,3)33-23(30)28-14-18-11-19(28)13-27(18)22(29)25-8-5-6-16(25)10-17(12-25)26-20-7-9-32-15-21(20)31-4/h16-21,26H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	552	-33.2	328	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140204 (US8906911, 13) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ncn1)C(F)(F)F |r| Show InChI InChI=1S/C25H34F3N5O3/c1-35-20-13-36-6-4-19(20)31-16-7-15-3-2-5-24(15,10-16)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,2-8,10-13H2,1H3/t15-,16-,17+,18+,19+,20-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	593	-33.0	525	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140217 (US8906911, 26) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H35F3N4O3/c1-35-22-15-36-8-5-21(22)31-17-9-16-3-2-6-25(16,12-17)24(34)33-14-19-10-20(33)13-32(19)18-4-7-30-23(11-18)26(27,28)29/h4,7,11,16-17,19-22,31H,2-3,5-6,8-10,12-15H2,1H3/t16-,17-,19+,20+,21+,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	792	-32.4	598	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140221 (US8906911, 30) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(cs1)C(F)(F)F |r| Show InChI InChI=1S/C24H33F3N4O3S/c1-33-19-12-34-6-4-18(19)28-15-7-14-3-2-5-23(14,9-15)21(32)30-10-17-8-16(30)11-31(17)22-29-20(13-35-22)24(25,26)27/h13-19,28H,2-12H2,1H3/t14-,15-,16+,17+,18+,19-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	831	-32.3	95.5	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140227 (US8906911, 36) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C(F)(F)F)C#N |r| Show InChI InChI=1S/C28H35F3N4O3/c1-37-25-16-38-8-6-23(25)33-19-10-18-3-2-7-27(18,12-19)26(36)35-15-20-11-21(35)14-34(20)24-9-17(13-32)4-5-22(24)28(29,30)31/h4-5,9,18-21,23,25,33H,2-3,6-8,10-12,14-16H2,1H3/t18-,19-,20+,21+,23+,25-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.06E+3	-31.7	305	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM140223 (US8906911, 32) Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C26H34ClF3N4O3/c1-36-22-14-37-6-4-21(22)32-17-7-15-3-2-5-25(15,10-17)24(35)34-13-18-9-19(34)12-33(18)23-20(27)8-16(11-31-23)26(28,29)30/h8,11,15,17-19,21-22,32H,2-7,9-10,12-14H2,1H3/t15-,17-,18+,19+,21+,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.06E+3	-31.7	314	n/a	n/a	n/a	n/a	7.4	4
AbbVie Inc. US Patent					Assay Description Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha±16 coupling protein. All compounds were dissolved in DMSO a...				US Patent US8906911 (2014) BindingDB Entry DOI: 10.7270/Q2BV7FBV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins ...				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50131686 (CHEMBL3633135) Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CCO)nn2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C34H59N5O6.ClH/c1-23(2)26(16-25-10-11-31(44-8)32(17-25)45-15-9-14-43-7)18-29(35)30(41)19-28(24(3)4)33(42)36-21-34(5,6)22-39-20-27(12-13-40)37-38-39;/h10-11,17,20,23-24,26,28-30,40-41H,9,12-16,18-19,21-22,35H2,1-8H3,(H,36,42);1H/t26-,28-,29-,30-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis				Eur J Med Chem 103: 269-88 (2015) Article DOI: 10.1016/j.ejmech.2015.08.060 BindingDB Entry DOI: 10.7270/Q21J9CNX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222244 (6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...) Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27| Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using H-Gly-Pro-AMC as substrate				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50131687 (CHEMBL3633134) Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CO)nn2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C33H57N5O6.ClH/c1-22(2)25(14-24-10-11-30(43-8)31(15-24)44-13-9-12-42-7)16-28(34)29(40)17-27(23(3)4)32(41)35-20-33(5,6)21-38-18-26(19-39)36-37-38;/h10-11,15,18,22-23,25,27-29,39-40H,9,12-14,16-17,19-21,34H2,1-8H3,(H,35,41);1H/t25-,27-,28-,29-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis				Eur J Med Chem 103: 269-88 (2015) Article DOI: 10.1016/j.ejmech.2015.08.060 BindingDB Entry DOI: 10.7270/Q21J9CNX
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50429477 (CHEMBL2332840) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of Erk1/2 phosphorylation after 20 hrs by Western blotting analysis				J Med Chem 56: 1641-55 (2013) Article DOI: 10.1021/jm301537p BindingDB Entry DOI: 10.7270/Q29S1SC5
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50131696 (CHEMBL3633309) Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN3CCCCC3)nn2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C38H66N6O5.ClH/c1-27(2)30(19-29-13-14-35(48-8)36(20-29)49-18-12-17-47-7)21-33(39)34(45)22-32(28(3)4)37(46)40-25-38(5,6)26-44-24-31(41-42-44)23-43-15-10-9-11-16-43;/h13-14,20,24,27-28,30,32-34,45H,9-12,15-19,21-23,25-26,39H2,1-8H3,(H,40,46);1H/t30-,32-,33-,34-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis				Eur J Med Chem 103: 269-88 (2015) Article DOI: 10.1016/j.ejmech.2015.08.060 BindingDB Entry DOI: 10.7270/Q21J9CNX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50462429 (CHEMBL4247480) Show SMILES Cc1csc(NCc2nc3ccc(C)cc3c(=O)n2\N=C\c2ccc(O)cc2)n1 Show InChI InChI=1S/C21H19N5O2S/c1-13-3-8-18-17(9-13)20(28)26(23-10-15-4-6-16(27)7-5-15)19(25-18)11-22-21-24-14(2)12-29-21/h3-10,12,27H,11H2,1-2H3,(H,22,24)/b23-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using H-Gly-Pro-AMC as substrate				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50131695 (CHEMBL3633310) Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN3CCOCC3)nn2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C37H64N6O6.ClH/c1-26(2)29(18-28-10-11-34(47-8)35(19-28)49-15-9-14-46-7)20-32(38)33(44)21-31(27(3)4)36(45)39-24-37(5,6)25-43-23-30(40-41-43)22-42-12-16-48-17-13-42;/h10-11,19,23,26-27,29,31-33,44H,9,12-18,20-22,24-25,38H2,1-8H3,(H,39,45);1H/t29-,31-,32-,33-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis				Eur J Med Chem 103: 269-88 (2015) Article DOI: 10.1016/j.ejmech.2015.08.060 BindingDB Entry DOI: 10.7270/Q21J9CNX
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50131685 (CHEMBL3633136) Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C(C)O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C34H59N5O6.ClH/c1-22(2)26(15-25-11-12-31(44-9)32(16-25)45-14-10-13-43-8)17-28(35)30(41)18-27(23(3)4)33(42)36-20-34(6,7)21-39-19-29(24(5)40)37-38-39;/h11-12,16,19,22-24,26-28,30,40-41H,10,13-15,17-18,20-21,35H2,1-9H3,(H,36,42);1H/t24?,26-,27-,28-,30-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis				Eur J Med Chem 103: 269-88 (2015) Article DOI: 10.1016/j.ejmech.2015.08.060 BindingDB Entry DOI: 10.7270/Q21J9CNX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222254 (6-Iodo-N4-(4-methylthiazol-2-yl)-N3-(3-nitrobenzyl...) Show SMILES Cc1csc(NC2N(\N=C\c3cccc(c3)[N+]([O-])=O)C(=Nc3ccc(I)cc23)c2ccccc2)n1 |c:20| Show InChI InChI=1S/C25H19IN6O2S/c1-16-15-35-25(28-16)30-24-21-13-19(26)10-11-22(21)29-23(18-7-3-2-4-8-18)31(24)27-14-17-6-5-9-20(12-17)32(33)34/h2-15,24H,1H3,(H,28,30)/b27-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using H-Gly-Pro-AMC as substrate				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM222239 (N3-(3-Nitrobenzylidene)-2-phenyl-N4-(thiazol-2-yl)...) Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)c1 |c:26| Show InChI InChI=1S/C24H18N6O2S/c31-30(32)19-10-6-7-17(15-19)16-26-29-22(18-8-2-1-3-9-18)27-21-12-5-4-11-20(21)23(29)28-24-25-13-14-33-24/h1-16,23H,(H,25,28)/b26-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using H-Gly-Pro-AMC as substrate				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 358 total )  |  Next  |  Last  >>

Jump to: