Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'zuckermann' and Initial = 'rn'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039664 (CHEMBL91890 | N-Biphenyl-4-yl-N-[(carbamoylmethyl-...) Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H36N4O3/c35-32(39)25-37(23-21-28-12-6-2-7-13-28)34(41)26-38(33(40)24-36-22-20-27-10-4-1-5-11-27)31-18-16-30(17-19-31)29-14-8-3-9-15-29/h1-19,36H,20-26H2,(H2,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039665 (CHEMBL90649 | CHIR-4531 | N-Benzo[1,3]dioxol-5-ylm...) Show SMILES NC(=O)CN(CCc1ccc(O)cc1)C(=O)CN(Cc1ccc2OCOc2c1)C(=O)CNCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H38N4O6/c37-34(42)23-39(18-17-26-11-14-30(41)15-12-26)36(44)24-40(22-27-13-16-32-33(19-27)46-25-45-32)35(43)21-38-20-31(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-16,19,31,38,41H,17-18,20-25H2,(H2,37,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039661 (CHEMBL327549 | CHIR-4537 | N-({Carbamoylmethyl-[2-...) Show SMILES COc1ccc(CN(CC(=O)N(CCc2ccc(O)cc2)CC(N)=O)C(=O)CNCC(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C37H42N4O6/c1-46-33-18-15-28(21-34(33)47-2)24-41(26-37(45)40(25-35(38)43)20-19-27-13-16-31(42)17-14-27)36(44)23-39-22-32(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-18,21,32,39,42H,19-20,22-26H2,1-2H3,(H2,38,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039663 (CHEMBL89378 | CHIR-4534 | N-({Carbamoylmethyl-[2-(...) Show SMILES CCCCCN(CC(=O)N(CCc1ccc(O)cc1)CC(N)=O)C(=O)CNCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H42N4O4/c1-2-3-10-20-36(25-33(41)37(24-31(34)39)21-19-26-15-17-29(38)18-16-26)32(40)23-35-22-30(27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,30,35,38H,2-3,10,19-25H2,1H3,(H2,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50029050 ((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...) Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair