Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'didier' and Initial = 'b'   

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
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50449636 (BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM82561 (CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50062449 (1-(4-Methyl-piperazin-1-yl)-phthalazine; hydrochlo...) Show SMILES CN1CCN(CC1)c1nncc2ccccc12 Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-12-5-3-2-4-11(12)10-14-15-13/h2-5,10H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M1 by measuring displacement of [3H]- pirenzepine from rat hipp...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50062450 (1-(4-Methyl-piperazin-1-yl)-4-phenyl-phthalazine; ...) Show SMILES CN1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H20N4/c1-22-11-13-23(14-12-22)19-17-10-6-5-9-16(17)18(20-21-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M1 by measuring displacement of [3H]- pirenzepine from rat hipp...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50062447 (3-(4-Methyl-piperazin-1-yl)-6-phenyl-pyridazine; h...) Show SMILES CN1CCN(CC1)c1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)15-8-7-14(16-17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M1 by measuring displacement of [3H]- pirenzepine from rat hipp...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50062449 (1-(4-Methyl-piperazin-1-yl)-phthalazine; hydrochlo...) Show SMILES CN1CCN(CC1)c1nncc2ccccc12 Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-12-5-3-2-4-11(12)10-14-15-13/h2-5,10H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M2 by measuring displacement of [3H]- NMS ligand from rat cardi...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50062451 (3-(4-Methyl-piperazin-1-yl)-5-phenyl-pyridazine; h...) Show SMILES CN1CCN(CC1)c1cc(cnn1)-c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-18-7-9-19(10-8-18)15-11-14(12-16-17-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M1 by measuring displacement of [3H]- pirenzepine from rat hipp...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50062447 (3-(4-Methyl-piperazin-1-yl)-6-phenyl-pyridazine; h...) Show SMILES CN1CCN(CC1)c1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)15-8-7-14(16-17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M2 by measuring displacement of [3H]- NMS ligand from rat cardi...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50062451 (3-(4-Methyl-piperazin-1-yl)-5-phenyl-pyridazine; h...) Show SMILES CN1CCN(CC1)c1cc(cnn1)-c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-18-7-9-19(10-8-18)15-11-14(12-16-17-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M2 by measuring displacement of [3H]- NMS ligand from rat cardi...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50062450 (1-(4-Methyl-piperazin-1-yl)-4-phenyl-phthalazine; ...) Show SMILES CN1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H20N4/c1-22-11-13-23(14-12-22)19-17-10-6-5-9-16(17)18(20-21-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M2 by measuring displacement of [3H]- NMS ligand from rat cardi...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50062446 (3-[3-(1-Methyl-1H-indol-3-yl)-[1,2,4]oxadiazol-5-y...) Show SMILES Cn1cc(-c2noc(n2)C2CN3CCC2CC3)c2ccccc12 |TLB:7:9:13.12:15.16,(12.88,-12.88,;12.86,-11.36,;14.15,-10.61,;14.15,-9.1,;15.23,-8.03,;15.22,-6.52,;17.81,-6.52,;17.81,-8.01,;16.53,-8.78,;19.22,-8.8,;19.22,-10.41,;20.52,-11.16,;21.34,-9.77,;19.78,-9.35,;20.6,-7.97,;22.01,-8.78,;22.01,-10.39,;11.53,-9.11,;10.22,-8.34,;8.91,-9.11,;8.91,-10.63,;10.22,-11.4,;11.55,-10.63,)| Show InChI InChI=1S/C18H20N4O/c1-21-10-15(13-4-2-3-5-16(13)21)17-19-18(23-20-17)14-11-22-8-6-12(14)7-9-22/h2-5,10,12,14H,6-9,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex.				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50062449 (1-(4-Methyl-piperazin-1-yl)-phthalazine; hydrochlo...) Show SMILES CN1CCN(CC1)c1nncc2ccccc12 Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-12-5-3-2-4-11(12)10-14-15-13/h2-5,10H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement of [3H]granisetron from rat cerebral cor...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50062451 (3-(4-Methyl-piperazin-1-yl)-5-phenyl-pyridazine; h...) Show SMILES CN1CCN(CC1)c1cc(cnn1)-c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-18-7-9-19(10-8-18)15-11-14(12-16-17-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement of [3H]granisetron from rat cerebral cor...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50062450 (1-(4-Methyl-piperazin-1-yl)-4-phenyl-phthalazine; ...) Show SMILES CN1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12 Show InChI InChI=1S/C19H20N4/c1-22-11-13-23(14-12-22)19-17-10-6-5-9-16(17)18(20-21-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement of [3H]granisetron from rat cerebral cor...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50062447 (3-(4-Methyl-piperazin-1-yl)-6-phenyl-pyridazine; h...) Show SMILES CN1CCN(CC1)c1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)15-8-7-14(16-17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement of [3H]granisetron from rat cerebral cor...				J Med Chem 41: 311-7 (1998) Article DOI: 10.1021/jm9705418 BindingDB Entry DOI: 10.7270/Q2N29XMV
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM86004 (Chalcone 2 | Chalcone, 3) Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	20
Université Louis Pasteur					Assay Description Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemo...				J Biol Chem 283: 23189-99 (2008) Article DOI: 10.1074/jbc.M803947200 BindingDB Entry DOI: 10.7270/Q23X858J
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50042978 ((E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	20
Université Louis Pasteur					Assay Description Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemo...				J Biol Chem 283: 23189-99 (2008) Article DOI: 10.1074/jbc.M803947200 BindingDB Entry DOI: 10.7270/Q23X858J
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM50042947 (1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...) Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	20
Université Louis Pasteur					Assay Description Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemo...				J Biol Chem 283: 23189-99 (2008) Article DOI: 10.1074/jbc.M803947200 BindingDB Entry DOI: 10.7270/Q23X858J
					More data for this Ligand-Target Pair
Stromal cell-derived factor 1 (Homo sapiens (Human))	BDBM29143 (CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...) Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	20
Université Louis Pasteur					Assay Description Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemo...				J Biol Chem 283: 23189-99 (2008) Article DOI: 10.1074/jbc.M803947200 BindingDB Entry DOI: 10.7270/Q23X858J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM150752 (4-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d...) Show SMILES NNc1ncnc2sc3CCCCc3c12 Show InChI InChI=1S/C10H12N4S/c11-14-9-8-6-3-1-2-4-7(6)15-10(8)13-5-12-9/h5H,1-4,11H2,(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.83E+4	n/a	n/a	n/a	7.5	30
Université Pierre et Marie Curie					Assay Description We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...				Chembiochem 16: 432-9 (2015) Article DOI: 10.1002/cbic.201402579 BindingDB Entry DOI: 10.7270/Q2T43RTF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM150753 (4-hydrazino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]t...) Show SMILES NNc1ncnc2sc3CCCCCc3c12 Show InChI InChI=1S/C11H14N4S/c12-15-10-9-7-4-2-1-3-5-8(7)16-11(9)14-6-13-10/h6H,1-5,12H2,(H,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.25E+4	n/a	n/a	n/a	7.5	30
Université Pierre et Marie Curie					Assay Description We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...				Chembiochem 16: 432-9 (2015) Article DOI: 10.1002/cbic.201402579 BindingDB Entry DOI: 10.7270/Q2T43RTF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM43654 (7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimid...) Show SMILES NNc1ncnc2sc3CCCc3c12 Show InChI InChI=1S/C9H10N4S/c10-13-8-7-5-2-1-3-6(5)14-9(7)12-4-11-8/h4H,1-3,10H2,(H,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.87E+5	n/a	n/a	n/a	7.5	30
Université Pierre et Marie Curie					Assay Description We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...				Chembiochem 16: 432-9 (2015) Article DOI: 10.1002/cbic.201402579 BindingDB Entry DOI: 10.7270/Q2T43RTF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM32021 (4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...) Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.60E+3	n/a	n/a	n/a	7.5	30
Université Pierre et Marie Curie					Assay Description We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...				Chembiochem 16: 432-9 (2015) Article DOI: 10.1002/cbic.201402579 BindingDB Entry DOI: 10.7270/Q2T43RTF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM150754 (11-O-acetyl-aloe-emodin | 3-[(acetyloxy)methyl]-1,...) Show SMILES CC(=O)OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	7.5	30
Université Pierre et Marie Curie					Assay Description We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris¿¿HCl (25 mm, pH 7.5), MgCl2 (10 mm...				Chembiochem 16: 432-9 (2015) Article DOI: 10.1002/cbic.201402579 BindingDB Entry DOI: 10.7270/Q2T43RTF
					More data for this Ligand-Target Pair