Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'wen' and Initial = 'ml'   

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of lck inase				J Med Chem 47: 6658-61 (2004) Article DOI: 10.1021/jm049486a BindingDB Entry DOI: 10.7270/Q2ZG6RRC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of src kinase				J Med Chem 47: 6658-61 (2004) Article DOI: 10.1021/jm049486a BindingDB Entry DOI: 10.7270/Q2ZG6RRC
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50402675 (CHEMBL2207348) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3noc4cnccc34)c2)cc1 Show InChI InChI=1S/C24H22ClN5O3/c25-18-4-6-19(7-5-18)32-20-3-1-2-17(14-20)16-29-10-12-30(13-11-29)24(31)27-23-21-8-9-26-15-22(21)33-28-23/h1-9,14-15H,10-13,16H2,(H,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of human FAAH preincubated for 60 mins				Bioorg Med Chem Lett 22: 7357-62 (2012) Article DOI: 10.1016/j.bmcl.2012.10.076 BindingDB Entry DOI: 10.7270/Q28S4R30
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of yes kinase				J Med Chem 47: 6658-61 (2004) Article DOI: 10.1021/jm049486a BindingDB Entry DOI: 10.7270/Q2ZG6RRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50402675 (CHEMBL2207348) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3noc4cnccc34)c2)cc1 Show InChI InChI=1S/C24H22ClN5O3/c25-18-4-6-19(7-5-18)32-20-3-1-2-17(14-20)16-29-10-12-30(13-11-29)24(31)27-23-21-8-9-26-15-22(21)33-28-23/h1-9,14-15H,10-13,16H2,(H,27,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of rat FAAH preincubated for 60 mins				Bioorg Med Chem Lett 22: 7357-62 (2012) Article DOI: 10.1016/j.bmcl.2012.10.076 BindingDB Entry DOI: 10.7270/Q28S4R30
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50586606 (CHEMBL5080354) Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl kinase				J Med Chem 47: 6658-61 (2004) Article DOI: 10.1021/jm049486a BindingDB Entry DOI: 10.7270/Q2ZG6RRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50174990 (CHEMBL3809293) Show SMILES FC(F)(F)c1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 Show InChI InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-8-21(9-7-19)33-22-5-1-3-18(15-22)17-30-11-13-31(14-12-30)23(32)29-20-4-2-10-28-16-20/h1-10,15-16H,11-14,17H2,(H,29,32)	PDB UniProtKB/SwissProt 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
Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C. Curated by ChEMBL					Assay Description Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation an...				Bioorg Med Chem Lett 26: 3109-14 (2016) Article DOI: 10.1016/j.bmcl.2016.05.001 BindingDB Entry DOI: 10.7270/Q25B04F3
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 2 (Homo sapiens (Human))	BDBM50074694 (CHEMBL3410161) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch2 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074796 (CHEMBL3410169) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074799 (CHEMBL3410167) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074771 (CHEMBL3410153) Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17| Show InChI InChI=1S/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074818 (CHEMBL3410163) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074796 (CHEMBL3410169) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074771 (CHEMBL3410153) Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17| Show InChI InChI=1S/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074693 (CHEMBL3410162) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(C)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C30H29F3N4O3/c1-18-9-8-12-20(17-18)24(26(34)38)22(15-16-30(31,32)33)28(39)36-27-29(40)37(2)23-14-7-6-13-21(23)25(35-27)19-10-4-3-5-11-19/h3-14,17,22,24,27H,15-16H2,1-2H3,(H2,34,38)(H,36,39)/t22-,24+,27-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50174997 (CHEMBL3809683) Show SMILES Clc1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1 Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-7-22(26-15-19)30-21-5-1-3-18(14-21)13-17-8-11-28(12-9-17)23(29)27-20-4-2-10-25-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,27,29)	PDB UniProtKB/SwissProt 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
Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C. Curated by ChEMBL					Assay Description Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation an...				Bioorg Med Chem Lett 26: 3109-14 (2016) Article DOI: 10.1016/j.bmcl.2016.05.001 BindingDB Entry DOI: 10.7270/Q25B04F3
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM297146 (2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD3 measured by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297146 (2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50448310 (CHEMBL3121143) Show SMILES CCSc1ccc(cc1)-c1cc(NC[C@H](O)c2ccccc2)ncn1 |r| Show InChI InChI=1S/C20H21N3OS/c1-2-25-17-10-8-15(9-11-17)18-12-20(23-14-22-18)21-13-19(24)16-6-4-3-5-7-16/h3-12,14,19,24H,2,13H2,1H3,(H,21,22,23)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson Curated by ChEMBL					Assay Description Inhibition of human FAAH				Bioorg Med Chem Lett 24: 1280-4 (2014) Article DOI: 10.1016/j.bmcl.2014.01.064 BindingDB Entry DOI: 10.7270/Q2TH8P67
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50174984 (CHEMBL3809841) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cnccc3Cl)c2)cc1 Show InChI InChI=1S/C23H22Cl2N4O2/c24-18-4-6-19(7-5-18)31-20-3-1-2-17(14-20)16-28-10-12-29(13-11-28)23(30)27-22-15-26-9-8-21(22)25/h1-9,14-15H,10-13,16H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C. Curated by ChEMBL					Assay Description Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation an...				Bioorg Med Chem Lett 26: 3109-14 (2016) Article DOI: 10.1016/j.bmcl.2016.05.001 BindingDB Entry DOI: 10.7270/Q25B04F3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50394620 (CHEMBL2164602) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C. Curated by ChEMBL					Assay Description Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation an...				Bioorg Med Chem Lett 26: 3109-14 (2016) Article DOI: 10.1016/j.bmcl.2016.05.001 BindingDB Entry DOI: 10.7270/Q25B04F3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50394620 (CHEMBL2164602) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of human FAAH preincubated for 60 mins				Bioorg Med Chem Lett 22: 7357-62 (2012) Article DOI: 10.1016/j.bmcl.2012.10.076 BindingDB Entry DOI: 10.7270/Q28S4R30
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM297146 (2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD2 measured by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50586604 (CHEMBL5093440) Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(C(c1ccccc1)c1ccccc1)c1cc(ccc21)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50350557 (CHEMBL1812715) Show SMILES CCOc1ccc(cc1Cl)-c1cc(NC[C@H](O)c2ccccc2)ncn1 |r| Show InChI InChI=1S/C20H20ClN3O2/c1-2-26-19-9-8-15(10-16(19)21)17-11-20(24-13-23-17)22-12-18(25)14-6-4-3-5-7-14/h3-11,13,18,25H,2,12H2,1H3,(H,22,23,24)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson Curated by ChEMBL					Assay Description Inhibition of human FAAH				Bioorg Med Chem Lett 24: 1280-4 (2014) Article DOI: 10.1016/j.bmcl.2014.01.064 BindingDB Entry DOI: 10.7270/Q2TH8P67
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM296886 (2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...) Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD2 measured by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM296886 (2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...) Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50586607 (CHEMBL5082474) Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM296886 (2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...) Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRD3 measured by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00625 BindingDB Entry DOI: 10.7270/Q2HT2T7C
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074784 (CHEMBL3410151) Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:15| Show InChI InChI=1S/C29H38N4O3/c1-6-19(7-2)24(26(30)34)22(17-18(3)4)28(35)32-27-29(36)33(5)23-16-12-11-15-21(23)25(31-27)20-13-9-8-10-14-20/h8-16,18-19,22,24,27H,6-7,17H2,1-5H3,(H2,30,34)(H,32,35)/t22-,24+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074795 (CHEMBL3410170) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074798 (CHEMBL3410168) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074795 (CHEMBL3410170) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074798 (CHEMBL3410168) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074799 (CHEMBL3410167) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074818 (CHEMBL3410163) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50174988 (CHEMBL3808688) Show SMILES Brc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1 Show InChI InChI=1S/C23H23BrN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C. Curated by ChEMBL					Assay Description Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation an...				Bioorg Med Chem Lett 26: 3109-14 (2016) Article DOI: 10.1016/j.bmcl.2016.05.001 BindingDB Entry DOI: 10.7270/Q25B04F3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50402695 (CHEMBL2207356) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccc4nccn34)c2)cc1 Show InChI InChI=1S/C25H24ClN5O2/c26-20-7-9-21(10-8-20)33-22-4-1-3-19(17-22)18-29-13-15-30(16-14-29)25(32)28-24-6-2-5-23-27-11-12-31(23)24/h1-12,17H,13-16,18H2,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C. Curated by ChEMBL					Assay Description Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation an...				Bioorg Med Chem Lett 26: 3109-14 (2016) Article DOI: 10.1016/j.bmcl.2016.05.001 BindingDB Entry DOI: 10.7270/Q25B04F3
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50402695 (CHEMBL2207356) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccc4nccn34)c2)cc1 Show InChI InChI=1S/C25H24ClN5O2/c26-20-7-9-21(10-8-20)33-22-4-1-3-19(17-22)18-29-13-15-30(16-14-29)25(32)28-24-6-2-5-23-27-11-12-31(23)24/h1-12,17H,13-16,18H2,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of human FAAH preincubated for 60 mins				Bioorg Med Chem Lett 22: 7357-62 (2012) Article DOI: 10.1016/j.bmcl.2012.10.076 BindingDB Entry DOI: 10.7270/Q28S4R30
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50350557 (CHEMBL1812715) Show SMILES CCOc1ccc(cc1Cl)-c1cc(NC[C@H](O)c2ccccc2)ncn1 |r| Show InChI InChI=1S/C20H20ClN3O2/c1-2-26-19-9-8-15(10-16(19)21)17-11-20(24-13-23-17)22-12-18(25)14-6-4-3-5-7-14/h3-11,13,18,25H,2,12H2,1H3,(H,22,23,24)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson Curated by ChEMBL					Assay Description Inhibition of rat FAAH				Bioorg Med Chem Lett 24: 1280-4 (2014) Article DOI: 10.1016/j.bmcl.2014.01.064 BindingDB Entry DOI: 10.7270/Q2TH8P67
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50402692 (CHEMBL2207358) Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3ccnc4nccn34)c2)cc1 Show InChI InChI=1S/C24H23ClN6O2/c25-19-4-6-20(7-5-19)33-21-3-1-2-18(16-21)17-29-12-14-30(15-13-29)24(32)28-22-8-9-26-23-27-10-11-31(22)23/h1-11,16H,12-15,17H2,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of human FAAH preincubated for 60 mins				Bioorg Med Chem Lett 22: 7357-62 (2012) Article DOI: 10.1016/j.bmcl.2012.10.076 BindingDB Entry DOI: 10.7270/Q28S4R30
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 4 (Homo sapiens (Human))	BDBM50074694 (CHEMBL3410161) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch4 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074777 (CHEMBL3410152) Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:16| Show InChI InChI=1S/C30H40N4O3/c1-7-19(8-2)24(26(31)35)22(18-30(3,4)5)28(36)33-27-29(37)34(6)23-17-13-12-16-21(23)25(32-27)20-14-10-9-11-15-20/h9-17,19,22,24,27H,7-8,18H2,1-6H3,(H2,31,35)(H,33,36)/t22-,24+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074695 (CHEMBL3410160) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50448297 (CHEMBL3121113) Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1cc(NC[C@H](O)c2ccccc2)ncn1 |r| Show InChI InChI=1S/C21H20F3N3O2/c1-2-29-19-9-8-15(10-16(19)21(22,23)24)17-11-20(27-13-26-17)25-12-18(28)14-6-4-3-5-7-14/h3-11,13,18,28H,2,12H2,1H3,(H,25,26,27)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Companies of Johnson& Johnson Curated by ChEMBL					Assay Description Inhibition of human FAAH				Bioorg Med Chem Lett 24: 1280-4 (2014) Article DOI: 10.1016/j.bmcl.2014.01.064 BindingDB Entry DOI: 10.7270/Q2TH8P67
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074695 (CHEMBL3410160) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074777 (CHEMBL3410152) Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:16| Show InChI InChI=1S/C30H40N4O3/c1-7-19(8-2)24(26(31)35)22(18-30(3,4)5)28(36)33-27-29(37)34(6)23-17-13-12-16-21(23)25(32-27)20-14-10-9-11-15-20/h9-17,19,22,24,27H,7-8,18H2,1-6H3,(H2,31,35)(H,33,36)/t22-,24+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 3 (Homo sapiens (Human))	BDBM50074784 (CHEMBL3410151) Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:15| Show InChI InChI=1S/C29H38N4O3/c1-6-19(7-2)24(26(30)34)22(17-18(3)4)28(35)32-27-29(36)33(5)23-16-12-11-15-21(23)25(31-27)20-13-9-8-10-14-20/h8-16,18-19,22,24,27H,6-7,17H2,1-5H3,(H2,30,34)(H,32,35)/t22-,24+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair
Neurogenic locus notch homolog protein 1 (Homo sapiens (Human))	BDBM50074813 (CHEMBL3410164) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(OC(F)(F)F)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C30H26F6N4O4/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)44-30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...				Bioorg Med Chem Lett 25: 1905-9 (2015) Article DOI: 10.1016/j.bmcl.2015.03.038 BindingDB Entry DOI: 10.7270/Q2X92D18
					More data for this Ligand-Target Pair

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