Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'wapenaar' and Initial = 'h'   

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 motif chemokine 2 (Homo sapiens (Human))	BDBM50440552 (CHEMBL2426340) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440556 (CHEMBL2426334) Show SMILES COc1cc2CCC(N[C@@H]3CC[C@](C3)(C(C)C)C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2cc1OC |r| Show InChI InChI=1S/C29H34F6N2O3/c1-16(2)27(26(38)36-15-17-9-19(28(30,31)32)12-20(10-17)29(33,34)35)8-7-21(14-27)37-23-6-5-18-11-24(39-3)25(40-4)13-22(18)23/h9-13,16,21,23,37H,5-8,14-15H2,1-4H3,(H,36,38)/t21-,23?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440549 (CHEMBL2426351) Show SMILES COc1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N2O2/c1-16(2)26(9-8-21(14-26)36-24-7-4-18-12-22(38-3)5-6-23(18)24)25(37)35-15-17-10-19(27(29,30)31)13-20(11-17)28(32,33)34/h5-6,10-13,16,21,24,36H,4,7-9,14-15H2,1-3H3,(H,35,37)/t21-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440557 (CHEMBL2426335) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc3OCOc3cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H30F6N2O3/c1-15(2)26(25(37)35-13-16-7-18(27(29,30)31)10-19(8-16)28(32,33)34)6-5-20(12-26)36-22-4-3-17-9-23-24(11-21(17)22)39-14-38-23/h7-11,15,20,22,36H,3-6,12-14H2,1-2H3,(H,35,37)/t20-,22?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50257898 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H30F6N2O2/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440552 (CHEMBL2426340) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440552 (CHEMBL2426340) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440551 (CHEMBL2426354) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Cl)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H29ClF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440558 (CHEMBL2426336) Show SMILES COc1cccc2C(CCCc12)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H34F6N2O2/c1-17(2)27(26(38)36-16-18-12-19(28(30,31)32)14-20(13-18)29(33,34)35)11-10-21(15-27)37-24-8-4-7-23-22(24)6-5-9-25(23)39-3/h5-6,9,12-14,17,21,24,37H,4,7-8,10-11,15-16H2,1-3H3,(H,36,38)/t21-,24?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440550 (CHEMBL2426352) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(O)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F6N2O2/c1-15(2)25(8-7-20(13-25)35-23-6-3-17-11-21(36)4-5-22(17)23)24(37)34-14-16-9-18(26(28,29)30)12-19(10-16)27(31,32)33/h4-5,9-12,15,20,23,35-36H,3,6-8,13-14H2,1-2H3,(H,34,37)/t20-,23?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50257900 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCSCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H30F6N2OS/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440545 (CHEMBL2426345) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N2O/c1-17(2)26(11-10-22(15-26)36-24-9-5-7-19-6-3-4-8-23(19)24)25(37)35-16-18-12-20(27(29,30)31)14-21(13-18)28(32,33)34/h3-4,6,8,12-14,17,22,24,36H,5,7,9-11,15-16H2,1-2H3,(H,35,37)/t22-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440559 (CHEMBL2426337) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2c(O)cccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N2O2/c1-16(2)26(10-9-20(14-26)36-23-7-3-6-22-21(23)5-4-8-24(22)37)25(38)35-15-17-11-18(27(29,30)31)13-19(12-17)28(32,33)34/h4-5,8,11-13,16,20,23,36-37H,3,6-7,9-10,14-15H2,1-2H3,(H,35,38)/t20-,23?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440546 (CHEMBL2426346) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H31F6N3O/c1-15(2)25(9-8-19(13-25)36-23-7-6-20-21(23)4-3-5-22(20)34)24(37)35-14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h3-5,10-12,15,19,23,36H,6-9,13-14,34H2,1-2H3,(H,35,37)/t19-,23?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50257992 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F6N2O/c1-16(2)25(10-9-21(14-25)35-23-8-7-18-5-3-4-6-22(18)23)24(36)34-15-17-11-19(26(28,29)30)13-20(12-17)27(31,32)33/h3-6,11-13,16,21,23,35H,7-10,14-15H2,1-2H3,(H,34,36)/t21-,23?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440554 (CHEMBL2426357) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(cc12)C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H29F6N3O/c1-16(2)26(8-7-22(13-26)37-24-6-5-19-4-3-17(14-35)11-23(19)24)25(38)36-15-18-9-20(27(29,30)31)12-21(10-18)28(32,33)34/h3-4,9-12,16,22,24,37H,5-8,13,15H2,1-2H3,(H,36,38)/t22-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440553 (CHEMBL2426356) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(C)cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N2O/c1-16(2)26(9-8-22(14-26)36-24-7-6-19-5-4-17(3)10-23(19)24)25(37)35-15-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h4-5,10-13,16,22,24,36H,6-9,14-15H2,1-3H3,(H,35,37)/t22-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440548 (CHEMBL2426348) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C28H29F6N3O/c1-16(2)26(9-8-21(13-26)37-24-7-6-22-18(14-35)4-3-5-23(22)24)25(38)36-15-17-10-19(27(29,30)31)12-20(11-17)28(32,33)34/h3-5,10-12,16,21,24,37H,6-9,13,15H2,1-2H3,(H,36,38)/t21-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440547 (CHEMBL2426347) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2O)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F6N2O2/c1-15(2)25(9-8-19(13-25)35-22-7-6-21-20(22)4-3-5-23(21)36)24(37)34-14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h3-5,10-12,15,19,22,35-36H,6-9,13-14H2,1-2H3,(H,34,37)/t19-,22?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50257792 ((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cycl...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H32F6N2O/c1-15(2)22(9-8-20(13-22)32-19-6-4-3-5-7-19)21(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19-20,32H,3-9,13-14H2,1-2H3,(H,31,33)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440555 (CHEMBL2426333) Show SMILES COc1ccc2C(CCc2c1OC)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C29H34F6N2O3/c1-16(2)27(26(38)36-15-17-11-18(28(30,31)32)13-19(12-17)29(33,34)35)10-9-20(14-27)37-23-7-5-22-21(23)6-8-24(39-3)25(22)40-4/h6,8,11-13,16,20,23,37H,5,7,9-10,14-15H2,1-4H3,(H,36,38)/t20-,23?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440544 (CHEMBL2426344) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NCCCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H32F6N2O/c1-18(2)25(11-10-23(16-25)34-12-6-9-19-7-4-3-5-8-19)24(36)35-17-20-13-21(26(28,29)30)15-22(14-20)27(31,32)33/h3-5,7-8,13-15,18,23,34H,6,9-12,16-17H2,1-2H3,(H,35,36)/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440542 (CHEMBL2426342) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H28F6N2O/c1-16(2)23(9-8-21(13-23)32-14-17-6-4-3-5-7-17)22(34)33-15-18-10-19(24(26,27)28)12-20(11-18)25(29,30)31/h3-7,10-12,16,21,32H,8-9,13-15H2,1-2H3,(H,33,34)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
C-C motif chemokine 2 (Homo sapiens (Human))	BDBM50440543 (CHEMBL2426343) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NCCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H30F6N2O/c1-17(2)24(10-8-22(15-24)33-11-9-18-6-4-3-5-7-18)23(35)34-16-19-12-20(25(27,28)29)14-21(13-19)26(30,31)32/h3-7,12-14,17,22,33H,8-11,15-16H2,1-2H3,(H,34,35)/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes				J Med Chem 56: 7706-14 (2013) Article DOI: 10.1021/jm4011737 BindingDB Entry DOI: 10.7270/Q2FT8NG3
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50469667 (6-Decylsalicylic Acid | CHEMBL416038) Show SMILES CCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(18)16(14)17(19)20/h10,12-13,18H,2-9,11H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev...				Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50499159 (CHEMBL3735604) Show SMILES CCCCCCCCCCc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(18)15(13-14)17(19)20/h11-13,18H,2-10H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev...				Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50240436 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev...				Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50499157 (CHEMBL3735420) Show SMILES CCCCCCCCCCCCCCCc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-21(23)20(18-19)22(24)25/h16-18,23H,2-15H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev...				Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50499160 (CHEMBL3736378) Show SMILES OCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C18H28O4/c19-14-9-7-5-3-1-2-4-6-8-11-15-12-10-13-16(20)17(15)18(21)22/h10,12-13,19-20H,1-9,11,14H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A lev...				Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50456444 (CHEMBL3734823) Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1| Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant Histone acetyltransferase p300 catalytic domain (1284-1672 residues) using [3H]Acetyl-CoA and histone H3 substrate at...				Eur J Med Chem 105: 289-96 (2015) Article DOI: 10.1016/j.ejmech.2015.10.016 BindingDB Entry DOI: 10.7270/Q2TT4TXW
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50282619 (CHEMBL4159902) Show SMILES Nc1ccc(O)c2ccncc12 Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK1 receptor in rabbit vena cava by using substance P (SP) as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK1 receptor in rabbit vena cava by using substance P (SP) as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM43307 (4-methyl-N-(4-oxidanylnaphthalen-1-yl)benzenesulfo...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C17H15NO3S/c1-12-6-8-13(9-7-12)22(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50282490 (CHEMBL4172065) Show SMILES CS(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50303931 (4-(dimethylamino)naphthalen-1-ol | CHEMBL571241) Show SMILES CN(C)c1ccc(O)c2ccccc12 Show InChI InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50282490 (CHEMBL4172065) Show SMILES CS(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50303931 (4-(dimethylamino)naphthalen-1-ol | CHEMBL571241) Show SMILES CN(C)c1ccc(O)c2ccccc12 Show InChI InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50455046 (CHEMBL4207747) Show SMILES Cc1ccc2C3CC(=O)N(CCc4c[nH]c5ccccc45)C(=O)C3=C(N)Oc2c1 |t:26| Show InChI InChI=1S/C23H21N3O3/c1-13-6-7-16-17-11-20(27)26(23(28)21(17)22(24)29-19(16)10-13)9-8-14-12-25-18-5-3-2-4-15(14)18/h2-7,10,12,17,25H,8-9,11,24H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) using 4-HPP as substrate				Bioorg Med Chem 26: 999-1005 (2018) Article DOI: 10.1016/j.bmc.2017.12.032 BindingDB Entry DOI: 10.7270/Q2G44SVK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50455042 (CHEMBL4209531) Show SMILES CCCCCCCCCCCCN1C(=O)CC2C(=C(N)Oc3cc(OCc4ccc(Cl)cc4)ccc23)C1=O |t:17| Show InChI InChI=1S/C31H39ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-18-34-28(35)20-26-25-17-16-24(37-21-22-12-14-23(32)15-13-22)19-27(25)38-30(33)29(26)31(34)36/h12-17,19,26H,2-11,18,20-21,33H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) using 4-HPP as substrate				Bioorg Med Chem 26: 999-1005 (2018) Article DOI: 10.1016/j.bmc.2017.12.032 BindingDB Entry DOI: 10.7270/Q2G44SVK
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50282619 (CHEMBL4159902) Show SMILES Nc1ccc(O)c2ccncc12 Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50282619 (CHEMBL4159902) Show SMILES Nc1ccc(O)c2ccncc12 Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50455047 (CHEMBL4217822) Show SMILES NC1=C2C(CC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c2ccc(OCc3ccc(Cl)cc3)cc2O1 |t:1| Show InChI InChI=1S/C29H24ClN3O4/c30-19-7-5-17(6-8-19)16-36-20-9-10-22-23-14-26(34)33(29(35)27(23)28(31)37-25(22)13-20)12-11-18-15-32-24-4-2-1-3-21(18)24/h1-10,13,15,23,32H,11-12,14,16,31H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) using 4-HPP as substrate				Bioorg Med Chem 26: 999-1005 (2018) Article DOI: 10.1016/j.bmc.2017.12.032 BindingDB Entry DOI: 10.7270/Q2G44SVK
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM43307 (4-methyl-N-(4-oxidanylnaphthalen-1-yl)benzenesulfo...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C17H15NO3S/c1-12-6-8-13(9-7-12)22(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair

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