Compile Data Set for Download or QSAR

Found 645 hits with Last Name = 'jong' and Initial = 'l'   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137564 (1'-(4-isopropylcyclohexyl)-2-methyl-5-phenyl-(3aR,...) Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)[C@@H]1CN(C)C[C@@H]1CC2c1ccccc1 |wD:15.17,20.21,(-1,-1.94,;-.25,-.59,;-1.04,.74,;1.29,-.57,;2.08,-1.9,;3.62,-1.87,;4.37,-.54,;3.58,.79,;2.04,.76,;5.91,-.52,;6.66,.82,;8.2,.83,;8.98,-.5,;8.22,-1.83,;6.68,-1.85,;9.88,.76,;9.88,2.29,;11.32,2.77,;11.79,4.24,;12.23,1.53,;11.34,.3,;11.36,-1.24,;9.9,-1.73,;9.43,-3.2,;10.48,-4.32,;10.02,-5.79,;8.52,-6.14,;7.47,-5,;7.94,-3.53,)| Show InChI InChI=1S/C27H42N2/c1-20(2)21-9-11-24(12-10-21)29-15-13-27(14-16-29)25(22-7-5-4-6-8-22)17-23-18-28(3)19-26(23)27/h4-8,20-21,23-26H,9-19H2,1-3H3/t21?,23-,24?,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137565 (1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137567 (1-((2R,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137566 (1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137565 (1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137565 (1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137566 (1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137566 (1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137567 (1-((2R,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137567 (1-((2R,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137561 (1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137568 (1-((2S,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137568 (1-((2S,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137568 (1-((2S,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137561 (1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	271	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	535	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137561 (1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	786	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	987	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50137566 (1-Ethyl-3-((2R,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50137565 (1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50137567 (1-((2R,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Glutamate racemase (Helicobacter pylori)	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Global Structural Chemistry Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori glutamate racemase				Nature 447: 817-822 (2007) Article DOI: 10.1038/nature05689 BindingDB Entry DOI: 10.7270/Q2HX1DJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50137568 (1-((2S,6S,9aR)-6-Cyclohexyl-octahydro-quinolizin-2...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1 Show InChI InChI=1S/C22H31N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h4-5,10-11,16-18,20H,1-3,6-9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50137561 (1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...) Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1 Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548859 (WO2022098806, Compound 2-120) Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc4CCCNCc4c3)ncc2c(N)c1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548828 (WO2022098806, Compound 2-89) Show SMILES CCS(=O)(=O)Cc1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)c(OC)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548847 (WO2022098806, Compound 2-108) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1 |(-1,-6.56,;-2.33,-5.79,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-6.5,-6.11,;-5.47,-7.25,;-3.66,-6.56,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548860 (WO2022098806, Compound 2-121) Show SMILES CN1C2CCC1c1cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc21 |TLB:0:1:35.6:3.4| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548834 (WO2022098806, Compound 2-180 | WO2022098806, Compo...) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1 |(-1,-6.56,;-2.33,-5.79,;-3.66,-6.56,;-5,-5.79,;-5,-4.25,;-6.33,-3.47,;-6.33,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,;-3.66,-1.94,;-3.66,-3.48,;-2.33,-4.25,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548817 (WO2022098806, Compound 2-78) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2C1=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548823 (WO2022098806, Compound 2-84) Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)nc3)ncc2c(N)c1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548829 (WO2022098806, Compound 2-179 | WO2022098806, Compo...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2c(N)c(F)c(c(Cl)c2n1)-c1cnc2OCCNc2c1C |(-9,-1.94,;-7.67,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-1,-6.56,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548850 (WO2022098806, Compound 2-111) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Br)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1 |(-1,-6.56,;-2.33,-5.79,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-6.5,-6.11,;-5.47,-7.25,;-3.66,-6.56,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548727 (WO2022098806, Compound 1-123) Show SMILES Cc1c2NCCOc2ncc1-c1ccc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548846 (WO2022098806, Compound 2-107 | WO2022098806, Compo...) Show SMILES CN1CCc2cc(F)c(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1 |(-1,-6.56,;-2.33,-5.79,;-3.66,-6.56,;-5,-5.79,;-5,-4.25,;-6.33,-3.47,;-6.33,-1.94,;-7.67,-1.17,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,;-3.66,-1.94,;-3.66,-3.48,;-2.33,-4.25,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548867 (WO2022098806, Compound 2-128) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2CC1(C)C Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548897 (WO2022098806, Compound 2-158) Show SMILES CN1CCc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548863 (WO2022098806, Compound 2-124 | WO2022098806, Compo...) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3Cl)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548914 (WO2022098806, Compound 2-175) Show SMILES CC(C)N1CCc2ncc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548815 (WO2022098806, Compound 2-76) Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548818 (WO2022098806, Compound 2-79) Show SMILES CN1CC2CC1c1cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc21 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548821 (WO2022098806, Compound 2-82) Show SMILES CNC(=O)C1(CCC1)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548824 (WO2022098806, Compound 2-85) Show SMILES C[C@H]1Cc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CN1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548922 (WO2022098806, Compound 2-183) Show SMILES CN1CCc2ncc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548858 (WO2022098806, Compound 2-119) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548763 (WO2022098806, Compound 2-114 | WO2022098806, Compo...) Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)cc3)ncc2c(N)c1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548878 (WO2022098806, Compound 2-139) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cncc4[nH]ccc34)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 645 total )  |  Next  |  Last  >>

Jump to: