Compile Data Set for Download or QSAR

Found 3414 hits with Last Name = 'ding' and Initial = 't'   

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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1 Show InChI InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates				J Med Chem 32: 968-74 (1989) BindingDB Entry DOI: 10.7270/Q2XG9TBN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013943 (CHEMBL327270 | Furan-2-carboxylic acid (2-chloro-p...) Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1Cl Show InChI InChI=1S/C25H27ClN2O2/c1-19-18-27(15-13-20-8-3-2-4-9-20)16-14-22(19)28(23-11-6-5-10-21(23)26)25(29)24-12-7-17-30-24/h2-12,17,19,22H,13-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013945 (CHEMBL431047 | Furan-2-carboxylic acid [3-methyl-1...) Show SMILES CC1CN(CCc2cccs2)CCC1N(C(=O)c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2S/c1-18-17-24(13-11-20-9-6-16-28-20)14-12-21(18)25(19-7-3-2-4-8-19)23(26)22-10-5-15-27-22/h2-10,15-16,18,21H,11-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013934 (CHEMBL319060 | N-(2-Fluoro-phenyl)-2-methoxy-N-(3-...) Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1F Show InChI InChI=1S/C23H29FN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013934 (CHEMBL319060 | N-(2-Fluoro-phenyl)-2-methoxy-N-(3-...) Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1F Show InChI InChI=1S/C23H29FN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM94503 (2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...) Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1 Show InChI InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013939 (CHEMBL95247 | Furan-2-carboxylic acid (3-methyl-1-...) Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1 Show InChI InChI=1S/C25H28N2O2/c1-20-19-26(16-14-21-9-4-2-5-10-21)17-15-23(20)27(22-11-6-3-7-12-22)25(28)24-13-8-18-29-24/h2-13,18,20,23H,14-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013939 (CHEMBL95247 | Furan-2-carboxylic acid (3-methyl-1-...) Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1 Show InChI InChI=1S/C25H28N2O2/c1-20-19-26(16-14-21-9-4-2-5-10-21)17-15-23(20)27(22-11-6-3-7-12-22)25(28)24-13-8-18-29-24/h2-13,18,20,23H,14-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013938 (2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...) Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-19-17-24(15-13-20-9-5-3-6-10-20)16-14-22(19)25(23(26)18-27-2)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013938 (2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...) Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O2/c1-19-17-24(15-13-20-9-5-3-6-10-20)16-14-22(19)25(23(26)18-27-2)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297307 (CHEMBL564226 | R-dimethindene) Show SMILES C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2| Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-University of Mainz Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards cloned human histamine H1 receptors stably expressed in CHO-K1 cells using [3H]mepyramine				J Med Chem 46: 856-67 (2003) Article DOI: 10.1021/jm020895l BindingDB Entry DOI: 10.7270/Q2XK8J83
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50156495 (8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...) Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Natural Sciences--Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against DNA-dependent protein kinase receptor				J Med Chem 48: 7829-46 (2005) Article DOI: 10.1021/jm050444b BindingDB Entry DOI: 10.7270/Q2Z31Z60
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H1 receptor (Homo sapiens (Human))	BDBM81452 (CAS_91533 | Dimethindene | NSC_91533) Show SMILES CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2| Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-University of Mainz Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards cloned human histamine H1 receptors stably expressed in CHO-K1 cells using [3H]mepyramine				J Med Chem 46: 856-67 (2003) Article DOI: 10.1021/jm020895l BindingDB Entry DOI: 10.7270/Q2XK8J83
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals, Inc., Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 943-51 (2004) Article DOI: 10.1124/jpet.104.066688 BindingDB Entry DOI: 10.7270/Q28S4NH4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013949 (CHEMBL95248 | Furan-2-carboxylic acid (2-methoxy-p...) Show SMILES COc1ccccc1N(C1CCN(CCc2ccccc2)CC1C)C(=O)c1ccco1 Show InChI InChI=1S/C26H30N2O3/c1-20-19-27(16-14-21-9-4-3-5-10-21)17-15-22(20)28(26(29)25-13-8-18-31-25)23-11-6-7-12-24(23)30-2/h3-13,18,20,22H,14-17,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50474506 (CHEMBL167223) Show SMILES CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:2| Show InChI InChI=1S/C20H23ClN2/c1-14(19-6-4-5-10-22-19)20-15(9-11-23(2)3)12-16-13-17(21)7-8-18(16)20/h4-8,10,13-14H,9,11-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-University of Mainz Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards cloned human histamine H1 receptors stably expressed in CHO-K1 cells using [3H]mepyramine				J Med Chem 46: 856-67 (2003) Article DOI: 10.1021/jm020895l BindingDB Entry DOI: 10.7270/Q2XK8J83
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals, Inc., Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 943-51 (2004) Article DOI: 10.1124/jpet.104.066688 BindingDB Entry DOI: 10.7270/Q28S4NH4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013948 (CHEMBL95909 | N-(2-Chloro-phenyl)-2-methoxy-N-(3-m...) Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1Cl Show InChI InChI=1S/C23H29ClN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOC Technical Center Curated by ChEMBL					Assay Description Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.				J Med Chem 32: 663-71 (1989) BindingDB Entry DOI: 10.7270/Q2N58KC7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50093383 (2-(4-Trifluoromethyl-phenyl)-1H-benzoimidazole-4-c...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)9-6-4-8(5-7-9)14-20-11-3-1-2-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description In vitro inhibition against human full length PARP protein				J Med Chem 43: 4084-97 (2000) BindingDB Entry DOI: 10.7270/Q2MP52HJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50093359 (2-(4-Hydroxymethyl-phenyl)-1H-benzoimidazole-4-car...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CO)cc1 Show InChI InChI=1S/C15H13N3O2/c16-14(20)11-2-1-3-12-13(11)18-15(17-12)10-6-4-9(8-19)5-7-10/h1-7,19H,8H2,(H2,16,20)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description In vitro inhibition against human full length PARP protein				J Med Chem 43: 4084-97 (2000) BindingDB Entry DOI: 10.7270/Q2MP52HJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals, Inc., Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 943-51 (2004) Article DOI: 10.1124/jpet.104.066688 BindingDB Entry DOI: 10.7270/Q28S4NH4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50017412 (CHEMBL345120 | Furan-2-carboxylic acid (1-phenethy...) Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1ccccn1)c1ccco1 Show InChI InChI=1S/C23H25N3O2/c27-23(21-9-6-18-28-21)26(22-10-4-5-14-24-22)20-12-16-25(17-13-20)15-11-19-7-2-1-3-8-19/h1-10,14,18,20H,11-13,15-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOC Technical Center Curated by ChEMBL					Assay Description Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.				J Med Chem 32: 663-71 (1989) BindingDB Entry DOI: 10.7270/Q2N58KC7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50093384 (2-(3-Hydroxy-4-methoxy-phenyl)-1H-benzoimidazole-4...) Show SMILES COc1ccc(cc1O)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C15H13N3O3/c1-21-12-6-5-8(7-11(12)19)15-17-10-4-2-3-9(14(16)20)13(10)18-15/h2-7,19H,1H3,(H2,16,20)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description In vitro inhibition against human full length PARP protein				J Med Chem 43: 4084-97 (2000) BindingDB Entry DOI: 10.7270/Q2MP52HJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013947 (CHEMBL95786 | Furan-2-carboxylic acid (2-methoxy-p...) Show SMILES COc1ccccc1N(C1CCN(CCc2cccs2)CC1C)C(=O)c1ccco1 Show InChI InChI=1S/C24H28N2O3S/c1-18-17-25(13-11-19-7-6-16-30-19)14-12-20(18)26(24(27)23-10-5-15-29-23)21-8-3-4-9-22(21)28-2/h3-10,15-16,18,20H,11-14,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013935 (CHEMBL95390 | N-(2-Fluoro-phenyl)-2-methoxy-N-[3-m...) Show SMILES COCC(=O)N(C1CCN(CCn2cnnn2)CC1C)c1ccccc1F Show InChI InChI=1S/C18H25FN6O2/c1-14-11-23(9-10-24-13-20-21-22-24)8-7-16(14)25(18(26)12-27-2)17-6-4-3-5-15(17)19/h3-6,13-14,16H,7-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013940 (CHEMBL319343 | N-(2-Fluoro-phenyl)-2-methoxy-N-[3-...) Show SMILES COC(C)C(=O)N(C1CCN(CCc2cccs2)CC1C)c1ccccc1F Show InChI InChI=1S/C22H29FN2O2S/c1-16-15-24(12-10-18-7-6-14-28-18)13-11-20(16)25(22(26)17(2)27-3)21-9-5-4-8-19(21)23/h4-9,14,16-17,20H,10-13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM50008984 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates				J Med Chem 32: 968-74 (1989) BindingDB Entry DOI: 10.7270/Q2XG9TBN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50008984 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50008984 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOC Technical Center Curated by ChEMBL					Assay Description Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.				J Med Chem 32: 663-71 (1989) BindingDB Entry DOI: 10.7270/Q2N58KC7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50017406 (CHEMBL162700 | Furan-3-carboxylic acid benzo[1,2,5...) Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1cccc2nsnc12)c1ccoc1 Show InChI InChI=1S/C24H24N4O2S/c29-24(19-12-16-30-17-19)28(22-8-4-7-21-23(22)26-31-25-21)20-10-14-27(15-11-20)13-9-18-5-2-1-3-6-18/h1-8,12,16-17,20H,9-11,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOC Technical Center Curated by ChEMBL					Assay Description Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.				J Med Chem 32: 663-71 (1989) BindingDB Entry DOI: 10.7270/Q2N58KC7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013942 (CHEMBL318895 | N-(2-Chloro-phenyl)-2-methoxy-N-(3-...) Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1Cl Show InChI InChI=1S/C24H31ClN2O2/c1-18-17-26(15-13-20-9-5-4-6-10-20)16-14-22(18)27(24(28)19(2)29-3)23-12-8-7-11-21(23)25/h4-12,18-19,22H,13-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM86496 (AC-90179 | N-(4-Methylbenzyl)-N-(1-methyl-4-piperi...) Show SMILES COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals, Inc., Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 943-51 (2004) Article DOI: 10.1124/jpet.104.066688 BindingDB Entry DOI: 10.7270/Q28S4NH4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50093372 (2-(4-Chloro-phenyl)-1H-benzoimidazole-4-carboxylic...) Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H10ClN3O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,(H2,16,19)(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description In vitro inhibition against human full length PARP protein				J Med Chem 43: 4084-97 (2000) BindingDB Entry DOI: 10.7270/Q2MP52HJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145214 (2-(4-((methylamino)methyl)phenyl)-1H-benzo[d]imida...) Show SMILES CNCc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM50228269 (CHEMBL178035) Show SMILES CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C25H32N2O3/c1-3-24(29)27(23-12-8-5-9-13-23)25(20-30-21(2)28)15-18-26(19-16-25)17-14-22-10-6-4-7-11-22/h4-13H,3,14-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Antimuscarinic activity on the acetylcholine-induced inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 sub...				J Med Chem 32: 968-74 (1989) BindingDB Entry DOI: 10.7270/Q2XG9TBN
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50154756 (6-(4-Methylaminomethyl-phenyl)-3,4-dihydro-2H-[1,4...) Show SMILES CNCc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C19H19N3O/c1-20-12-13-5-7-14(8-6-13)17-11-15-3-2-4-16-18(15)22(17)10-9-21-19(16)23/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50093379 (2-(4-Cyano-phenyl)-1H-benzoimidazole-4-carboxylic ...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C15H10N4O/c16-8-9-4-6-10(7-5-9)15-18-12-3-1-2-11(14(17)20)13(12)19-15/h1-7H,(H2,17,20)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University Curated by ChEMBL					Assay Description In vitro inhibition against human full length PARP protein				J Med Chem 43: 4084-97 (2000) BindingDB Entry DOI: 10.7270/Q2MP52HJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122777 (1-Phenyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azu...) Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50017416 (CHEMBL347188 | Furan-2-carboxylic acid (4-methyl-p...) Show SMILES Cc1ccnc(c1)N(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccco1 Show InChI InChI=1S/C24H27N3O2/c1-19-9-13-25-23(18-19)27(24(28)22-8-5-17-29-22)21-11-15-26(16-12-21)14-10-20-6-3-2-4-7-20/h2-9,13,17-18,21H,10-12,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOC Technical Center Curated by ChEMBL					Assay Description Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.				J Med Chem 32: 663-71 (1989) BindingDB Entry DOI: 10.7270/Q2N58KC7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013936 (2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...) Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1 Show InChI InChI=1S/C24H32N2O2/c1-19-18-25(16-14-21-10-6-4-7-11-21)17-15-23(19)26(24(27)20(2)28-3)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122775 (1-(4-Hydroxymethyl-phenyl)-8,9-dihydro-7H-2,7,9a-t...) Show SMILES OCc1ccc(cc1)-c1nc2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C17H15N3O2/c21-10-11-4-6-12(7-5-11)16-19-14-3-1-2-13-15(14)20(16)9-8-18-17(13)22/h1-7,21H,8-10H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013936 (2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...) Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1 Show InChI InChI=1S/C24H32N2O2/c1-19-18-25(16-14-21-10-6-4-7-11-21)17-15-23(19)26(24(27)20(2)28-3)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.				J Med Chem 33: 2876-82 (1990) BindingDB Entry DOI: 10.7270/Q2X34WF4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145216 (2-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenyl...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(CN(CCO)CCO)cc1 Show InChI InChI=1S/C19H22N4O3/c20-18(26)15-2-1-3-16-17(15)22-19(21-16)14-6-4-13(5-7-14)12-23(8-10-24)9-11-25/h1-7,24-25H,8-12H2,(H2,20,26)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145224 (2-(4-Dimethylaminomethyl-phenyl)-1H-benzoimidazole...) Show SMILES CN(C)Cc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C17H18N4O/c1-21(2)10-11-6-8-12(9-7-11)17-19-14-5-3-4-13(16(18)22)15(14)20-17/h3-9H,10H2,1-2H3,(H2,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle Curated by ChEMBL					Assay Description Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)				Bioorg Med Chem Lett 14: 2433-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.017 BindingDB Entry DOI: 10.7270/Q2542N1M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50122781 (1-Naphthalen-1-yl-8,9-dihydro-7H-2,7,9a-triaza-ben...) Show SMILES O=C1NCCn2c(nc3cccc1c23)-c1cccc2ccccc12 Show InChI InChI=1S/C20H15N3O/c24-20-16-9-4-10-17-18(16)23(12-11-21-20)19(22-17)15-8-3-6-13-5-1-2-7-14(13)15/h1-10H,11-12H2,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1				J Med Chem 46: 210-3 (2003) Article DOI: 10.1021/jm0255769 BindingDB Entry DOI: 10.7270/Q2154GDB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120702 (2-(4-Trifluoromethyl-phenyl)-1,3,4,5-tetrahydro-az...) Show SMILES FC(F)(F)c1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C18H13F3N2O/c19-18(20,21)11-6-4-10(5-7-11)16-12-8-9-22-17(24)13-2-1-3-14(23-16)15(12)13/h1-7,23H,8-9H2,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27685 (2-{4-[(dimethylamino)methyl]phenyl}-3,10-diazatric...) Show SMILES CN(C)Cc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C20H21N3O/c1-23(2)12-13-6-8-14(9-7-13)19-15-10-11-21-20(24)16-4-3-5-17(22-19)18(15)16/h3-9,22H,10-12H2,1-2H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120707 (2-Thiophen-2-yl-1,3,4,5-tetrahydro-azepino[5,4,3-c...) Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1cccs1 Show InChI InChI=1S/C15H12N2OS/c18-15-10-3-1-4-11-13(10)9(6-7-16-15)14(17-11)12-5-2-8-19-12/h1-5,8,17H,6-7H2,(H,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair

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