Compile Data Set for Download or QSAR

Found 229 hits with Last Name = 'valoti' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50131925 (1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...) Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from rat brain membrane D3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting meth...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528930 (CHEMBL4471658) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50605682 (CHEMBL5176915) Show SMILES Oc1ccc(F)c(c1)C(=O)N1CCC(Cc2cccc(Oc3cc(ccn3)C(F)(F)F)c2)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01806 BindingDB Entry DOI: 10.7270/Q2Q81J4P
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528926 (CHEMBL4565200) Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	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 PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528924 (CHEMBL4473519) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528925 (CHEMBL4540218) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528925 (CHEMBL4540218) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528925 (CHEMBL4540218) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50354489 (CHEMBL1836680) Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src ...				J Med Chem 60: 6305-6320 (2017) Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528925 (CHEMBL4540218) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528925 (CHEMBL4540218) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528931 (CHEMBL4520982) Show SMILES Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCN3CCN(CC3)c3ccccc3)c2)n1C Show InChI InChI=1S/C26H31N5O3/c1-19-17-23(25(27)32)24(29(19)2)20-7-6-10-22(18-20)34-26(33)28-11-12-30-13-15-31(16-14-30)21-8-4-3-5-9-21/h3-10,17-18H,11-16H2,1-2H3,(H2,27,32)(H,28,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528933 (CHEMBL4449756) Show SMILES Cc1cc(C(N)=O)c([nH]1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c1-18-16-22(24(26)31)23(28-18)19-6-5-9-21(17-19)33-25(32)27-10-11-29-12-14-30(15-13-29)20-7-3-2-4-8-20/h2-9,16-17,28H,10-15H2,1H3,(H2,26,31)(H,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528927 (CHEMBL4517296) Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528927 (CHEMBL4517296) Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50436584 (CHEMBL2397802) Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(Br)cc1 Show InChI InChI=1S/C19H15BrClN5/c20-14-8-6-13(7-9-14)17(21)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src ...				J Med Chem 60: 6305-6320 (2017) Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528932 (CHEMBL4554053) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H29N5O3/c26-24(31)20-10-13-30(19-20)22-8-4-9-23(18-22)33-25(32)27-11-5-12-28-14-16-29(17-15-28)21-6-2-1-3-7-21/h1-4,6-10,13,18-19H,5,11-12,14-17H2,(H2,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528927 (CHEMBL4517296) Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528927 (CHEMBL4517296) Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343424 (1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...) Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14| Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343427 (CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...) Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528924 (CHEMBL4473519) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528924 (CHEMBL4473519) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528930 (CHEMBL4471658) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528930 (CHEMBL4471658) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50102903 (CHEMBL3394092) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged ABL (P118 to S535 residues) expressed in Sf9 cells using abltide as substrate af...				J Med Chem 60: 6305-6320 (2017) Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343430 (CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50102903 (CHEMBL3394092) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)	PDB MMDB 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src ...				J Med Chem 60: 6305-6320 (2017) Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528930 (CHEMBL4471658) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528930 (CHEMBL4471658) Show SMILES Cc1cc(C(N)=O)c(o1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528926 (CHEMBL4565200) Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50528926 (CHEMBL4565200) Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343431 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528924 (CHEMBL4473519) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528924 (CHEMBL4473519) Show SMILES NC(=O)c1ccn(c1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C24H27N5O3/c25-23(30)19-9-11-29(18-19)21-7-4-8-22(17-21)32-24(31)26-10-12-27-13-15-28(16-14-27)20-5-2-1-3-6-20/h1-9,11,17-18H,10,12-16H2,(H2,25,30)(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343430 (CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528928 (CHEMBL4520184) Show SMILES NC(=O)c1cn(nn1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C22H25N7O3/c23-21(30)20-16-29(26-25-20)18-7-4-8-19(15-18)32-22(31)24-9-10-27-11-13-28(14-12-27)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H2,23,30)(H,24,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Mus musculus (mouse))	BDBM50528927 (CHEMBL4517296) Show SMILES Cn1c(ccc1-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1)C(N)=O Show InChI InChI=1S/C25H29N5O3/c1-28-22(10-11-23(28)24(26)31)19-6-5-9-21(18-19)33-25(32)27-12-13-29-14-16-30(17-15-29)20-7-3-2-4-8-20/h2-11,18H,12-17H2,1H3,(H2,26,31)(H,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343431 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528926 (CHEMBL4565200) Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50528926 (CHEMBL4565200) Show SMILES Cc1cc(C(N)=O)c(s1)-c1cccc(OC(=O)NCCN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C25H28N4O3S/c1-18-16-22(24(26)30)23(33-18)19-6-5-9-21(17-19)32-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation co...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343421 (2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...) Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1 Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142885 (Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...) Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343429 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C27H31ClN6OS/c28-24(22-9-5-2-6-10-22)20-34-26-23(19-30-34)25(29-12-11-21-7-3-1-4-8-21)31-27(32-26)36-18-15-33-13-16-35-17-14-33/h1-10,19,24H,11-18,20H2,(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343426 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair

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