Compile Data Set for Download or QSAR

Found 1059 hits with Last Name = 'kargbo' and Initial = 'rb'   

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
Protein cereblon (Homo sapiens (Human))	BDBM50541818 (CHEMBL4648907 | US11530219, Compound 16) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 Show InChI InChI=1S/C30H29F3N8O4/c31-30(32,33)18-3-1-4-19(15-18)39-11-13-40(14-12-39)29-34-10-9-24(37-29)35-16-26(43)36-22-6-2-5-20-21(22)17-41(28(20)45)23-7-8-25(42)38-27(23)44/h1-6,9-10,15,23H,7-8,11-14,16-17H2,(H,36,43)(H,34,35,37)(H,38,42,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50541817 (CHEMBL4635421 | US11530219, Compound 14) Show SMILES OC[C@H]1CCCN1c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 |r| Show InChI InChI=1S/C24H27N7O5/c32-13-14-3-2-10-30(14)24-25-9-8-19(28-24)26-11-21(34)27-17-5-1-4-15-16(17)12-31(23(15)36)18-6-7-20(33)29-22(18)35/h1,4-5,8-9,14,18,32H,2-3,6-7,10-13H2,(H,27,34)(H,25,26,28)(H,29,33,35)/t14-,18?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50541820 (CHEMBL4648134) Show SMILES Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c2ncccc12 Show InChI InChI=1S/C15H14N4O3/c16-10-4-3-9(13-8(10)2-1-7-17-13)14(21)18-11-5-6-12(20)19-15(11)22/h1-4,7,11H,5-6,16H2,(H,18,21)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM50541819 (CHEMBL4645406 | US11530219, Compound 17) Show SMILES CN(c1ccccc1)c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1 Show InChI InChI=1S/C26H25N7O4/c1-32(16-6-3-2-4-7-16)26-27-13-12-21(30-26)28-14-23(35)29-19-9-5-8-17-18(19)15-33(25(17)37)20-10-11-22(34)31-24(20)36/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,29,35)(H,27,28,30)(H,31,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549967 (CHEMBL4800330) Show SMILES O=C1NCCn2nc3CCC(Cc3c12)NCCc1ccc2OCOc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549969 (CHEMBL4795855) Show SMILES CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3ccc(F)cc3)CCc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549961 (CHEMBL4749047) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ncc[nH]1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549962 (CHEMBL4764493) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)N1CCc2ccccc2C1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549963 (CHEMBL4754389) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc(cc1)C#N)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549964 (CHEMBL4793307) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCC1CCOCC1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549965 (CHEMBL4741458) Show SMILES O=C1NCCCn2nc3CCC(Cc3c12)NCCc1ccc(cc1)C#N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549966 (CHEMBL4745019) Show SMILES CN1CCn2nc3CCC(Cc3c2C1=O)NCc1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549970 (CHEMBL4752119) Show SMILES CCCn1nc(C(=O)Nc2cccc(OC)c2)c2CC(CCc12)NCCc1ccncc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549968 (CHEMBL4781851) Show SMILES CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3cccc(c3)C(F)(F)F)CCc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549969 (CHEMBL4795855) Show SMILES CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3ccc(F)cc3)CCc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50549970 (CHEMBL4752119) Show SMILES CCCn1nc(C(=O)Nc2cccc(OC)c2)c2CC(CCc12)NCCc1ccncc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 1 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549961 (CHEMBL4749047) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ncc[nH]1)-c1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549962 (CHEMBL4764493) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)N1CCc2ccccc2C1)-c1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549963 (CHEMBL4754389) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc(cc1)C#N)-c1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549964 (CHEMBL4793307) Show SMILES O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCC1CCOCC1)-c1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549965 (CHEMBL4741458) Show SMILES O=C1NCCCn2nc3CCC(Cc3c12)NCCc1ccc(cc1)C#N Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549966 (CHEMBL4745019) Show SMILES CN1CCn2nc3CCC(Cc3c2C1=O)NCc1ccc(F)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549967 (CHEMBL4800330) Show SMILES O=C1NCCn2nc3CCC(Cc3c12)NCCc1ccc2OCOc2c1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50549968 (CHEMBL4781851) Show SMILES CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3cccc(c3)C(F)(F)F)CCc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sigma 2 receptor (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00002 BindingDB Entry DOI: 10.7270/Q2M61PV4
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM65454 (191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...) Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein cereblon (Homo sapiens (Human))	BDBM50541821 (CHEMBL4639892) Show SMILES Nc1ccnc2c(cccc12)C(=O)NC1CCC(=O)NC1=O Show InChI InChI=1S/C15H14N4O3/c16-10-6-7-17-13-8(10)2-1-3-9(13)14(21)18-11-4-5-12(20)19-15(11)22/h1-3,6-7,11H,4-5H2,(H2,16,17)(H,18,21)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay				ACS Med Chem Lett 11: 1088-1089 (2020) Article DOI: 10.1021/acsmedchemlett.0c00214 BindingDB Entry DOI: 10.7270/Q2VH5SCW
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502491 (CHEMBL4443354 | US11834430, Compound 41) Show SMILES C[C@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N |r| Show InChI InChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Acetyl-coenzyme A synthetase, cytoplasmic (Homo sapiens)	BDBM50517061 (CHEMBL4467131) Show SMILES CC1=NN(C(=O)C1C(=O)Nc1cccc(c1)C(C)(F)F)c1ccc(OC(F)F)c(c1)-c1ccncc1 |t:1| Show InChI InChI=1S/C25H20F4N4O3/c1-14-21(22(34)31-17-5-3-4-16(12-17)25(2,28)29)23(35)33(32-14)18-6-7-20(36-24(26)27)19(13-18)15-8-10-30-11-9-15/h3-13,21,24H,1-2H3,(H,31,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00280	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of ACSS2 in human MDA-MB-468 cells assessed as 13C-acetate incorporation incubated for 5 hrs measured under hypoxic conditions by LCMS ana...				ACS Med Chem Lett 10: 1100-1101 (2019) Article DOI: 10.1021/acsmedchemlett.9b00295 BindingDB Entry DOI: 10.7270/Q2J969Q3
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502493 (CHEMBL4558383 | US11834430, Compound 81) Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N |r| Show InChI InChI=1S/C23H23N3O3/c1-16(29-21-9-6-17(14-24)12-22(21)27-2)15-28-20-5-3-4-19(13-20)26-11-10-25-23(26)18-7-8-18/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502489 (CHEMBL4583704 | US11834430, Compound 72) Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r| Show InChI InChI=1S/C21H21N3O3/c1-15(27-20-8-7-17(13-22)11-21(20)25-3)14-26-19-6-4-5-18(12-19)24-10-9-23-16(24)2/h4-12,15H,14H2,1-3H3/t15-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579603 (CHEMBL4855757 | US11453683, Example 384 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4C(CF)CC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00545 BindingDB Entry DOI: 10.7270/Q2V69PDH
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502494 (CHEMBL4446351 | US11834430, Compound 9) Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N Show InChI InChI=1S/C21H18ClN3O2/c22-19-12-15(14-23)4-7-20(19)27-11-10-26-18-3-1-2-17(13-18)25-9-8-24-21(25)16-5-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50587586 (CHEMBL5078731) Show SMILES CN(C)CCc1cn(CC2CC2)c2cccc(O)c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of human 5HT2C expressed in HEK293T cells co-transfected with Galphaq-RLuc8, Ggamma1-GFP2 and Gbeta1 assessed as dissociation of Galphaq f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00578 BindingDB Entry DOI: 10.7270/Q2BR8X3V
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502488 (CHEMBL4449942 | US11834430, Compound 62) Show SMILES N#Cc1ccc(OCCOc2cccc(c2)-n2ccnc2C2CC2)cc1 Show InChI InChI=1S/C21H19N3O2/c22-15-16-4-8-19(9-5-16)25-12-13-26-20-3-1-2-18(14-20)24-11-10-23-21(24)17-6-7-17/h1-5,8-11,14,17H,6-7,12-13H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502492 (CHEMBL4446048 | US11834430, Compound 8) Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C)C#N Show InChI InChI=1S/C20H19N3O3/c1-15-22-8-9-23(15)17-4-3-5-18(13-17)25-10-11-26-19-7-6-16(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502486 (CHEMBL4468997 | US11834430, Compound 5) Show SMILES Cc1nccn1-c1cccc(OCCOc2ccc(cc2Cl)C#N)c1 Show InChI InChI=1S/C19H16ClN3O2/c1-14-22-7-8-23(14)16-3-2-4-17(12-16)24-9-10-25-19-6-5-15(13-21)11-18(19)20/h2-8,11-12H,9-10H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579600 (CHEMBL4857438 | US11453683, Example 251 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00545 BindingDB Entry DOI: 10.7270/Q2V69PDH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50587589 (CHEMBL5081637) Show SMILES CN(CCc1cn(C)c2cccc(O)c12)CC1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.245	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Modulation of human 5HT2B expressed in HEK293T cells co-transfected with Galphaq-RLuc8, Ggamma1-GFP2 and Gbeta1 assessed as dissociation of Galphaq f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00578 BindingDB Entry DOI: 10.7270/Q2BR8X3V
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50520569 (CHEMBL4456119) Show SMILES COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCC2(O)CC(C2)Oc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r,wU:38.42,39.55,(26.88,-31.48,;27.66,-30.16,;26.91,-28.82,;25.37,-28.8,;24.62,-27.46,;25.39,-26.14,;26.92,-26.15,;27.96,-25.01,;29.36,-25.63,;30.7,-24.87,;32.02,-25.64,;33.35,-24.88,;33.36,-23.35,;34.69,-22.58,;32.03,-22.57,;30.69,-23.34,;29.36,-22.57,;29.2,-27.17,;30.34,-28.2,;27.69,-27.49,;23.08,-27.45,;22.36,-28.81,;20.83,-28.87,;20.01,-27.57,;18.48,-27.63,;17.66,-26.33,;16.12,-26.39,;16.51,-24.9,;15.08,-27.52,;13.96,-26.48,;14.99,-25.35,;12.42,-26.54,;11.71,-27.9,;12.53,-29.22,;11.81,-30.58,;10.27,-30.63,;9.44,-29.34,;10.15,-27.97,;9.55,-31.99,;10.37,-33.31,;9.65,-34.69,;8.1,-34.73,;7.28,-33.43,;5.74,-33.48,;4.92,-32.17,;3.38,-32.22,;5.64,-30.81,;7.18,-30.75,;8,-32.06,;11.91,-33.25,;12.72,-34.57,;14.27,-34.51,;14.99,-33.14,;14.16,-31.83,;12.62,-31.89,;20.72,-26.21,;22.26,-26.15,)| Show InChI InChI=1S/C46H50N4O7/c1-56-40-25-33(23-32-28-50(45(54)43(32)40)39-15-16-41(52)47-44(39)53)49-21-19-48(20-22-49)18-17-46(55)26-36(27-46)57-35-11-7-30(8-12-35)42-37(29-5-3-2-4-6-29)13-9-31-24-34(51)10-14-38(31)42/h2-8,10-12,14,23-25,36-37,39,42,51,55H,9,13,15-22,26-28H2,1H3,(H,47,52,53)/t36?,37-,39?,42+,46?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of ERalpha in human T47D cells by ERE-driven luciferase reporter gene assay based target engagement assay				ACS Med Chem Lett 11: 407-408 (2020) Article DOI: 10.1021/acsmedchemlett.0c00071 BindingDB Entry DOI: 10.7270/Q28S4T9H
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579595 (CHEMBL4863339 | US11453683, Example 185 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00545 BindingDB Entry DOI: 10.7270/Q2V69PDH
					More data for this Ligand-Target Pair
Acetyl-coenzyme A synthetase, cytoplasmic (Homo sapiens)	BDBM50517065 (CHEMBL4550594) Show SMILES CC1=NN(C(=O)C1C(=O)Nc1cccc(c1)C(C)(F)F)c1ccc(OC(F)F)c(c1)-c1cccnc1 |t:1| Show InChI InChI=1S/C25H20F4N4O3/c1-14-21(22(34)31-17-7-3-6-16(11-17)25(2,28)29)23(35)33(32-14)18-8-9-20(36-24(26)27)19(12-18)15-5-4-10-30-13-15/h3-13,21,24H,1-2H3,(H,31,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of ACSS2 in human MDA-MB-468 cells assessed as 13C-acetate incorporation incubated for 5 hrs measured under hypoxic conditions by LCMS ana...				ACS Med Chem Lett 10: 1100-1101 (2019) Article DOI: 10.1021/acsmedchemlett.9b00295 BindingDB Entry DOI: 10.7270/Q2J969Q3
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50520563 (CHEMBL4537710) Show SMILES COc1cc(cc2CN([C@@H]3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCCCCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r| Show InChI InChI=1S/C45H50N4O6/c1-54-40-28-34(26-33-29-49(45(53)43(33)40)39-18-19-41(51)46-44(39)52)48-23-21-47(22-24-48)20-6-3-7-25-55-36-14-10-31(11-15-36)42-37(30-8-4-2-5-9-30)16-12-32-27-35(50)13-17-38(32)42/h2,4-5,8-11,13-15,17,26-28,37,39,42,50H,3,6-7,12,16,18-25,29H2,1H3,(H,46,51,52)/t37-,39-,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of ERalpha in human T47D cells by ERE-driven luciferase reporter gene assay based target engagement assay				ACS Med Chem Lett 11: 407-408 (2020) Article DOI: 10.1021/acsmedchemlett.0c00071 BindingDB Entry DOI: 10.7270/Q28S4T9H
					More data for this Ligand-Target Pair
Lymphokine-activated killer T-cell-originated protein kinase (Homo sapiens (Human))	BDBM148993 (US8962648, 72 | US8962648, 73) Show SMILES NCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12 Show InChI InChI=1S/C18H14N2O2S/c19-9-10-1-3-11(4-2-10)15-14(21)6-5-13-16(15)12-7-8-23-17(12)18(22)20-13/h1-8,21H,9,19H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...				US Patent US8962648 (2015) BindingDB Entry DOI: 10.7270/Q27H1H9K
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579597 (CHEMBL4876040 | US11453683, Example 243 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00545 BindingDB Entry DOI: 10.7270/Q2V69PDH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579601 (CHEMBL4858364 | US11453683, Example 252 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00545 BindingDB Entry DOI: 10.7270/Q2V69PDH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50520581 (CHEMBL4208017) Show SMILES Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(OCCCCNC(=O)C2CCCCC2)cc1 |TLB:7:8:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.17:8,15:13:10:17.16.8,15:16:10:14.12.13,(34.3,-46.14,;35.63,-45.37,;35.63,-43.83,;36.95,-43.06,;38.29,-43.83,;38.29,-45.36,;36.97,-46.14,;39.63,-43.06,;40.96,-43.83,;40.97,-45.33,;39.78,-46.6,;41.28,-46.19,;42.7,-46.75,;43.7,-45.46,;42.29,-45.81,;43.72,-43.93,;42.3,-43.36,;41.27,-44.59,;39.62,-41.52,;40.96,-40.75,;40.96,-39.21,;39.62,-38.44,;39.62,-36.9,;40.95,-36.12,;42.28,-36.89,;43.62,-36.12,;44.95,-36.88,;46.28,-36.11,;47.61,-36.87,;48.95,-36.1,;47.62,-38.41,;46.28,-39.18,;46.28,-40.72,;47.61,-41.49,;48.95,-40.72,;48.95,-39.17,;38.28,-39.22,;38.29,-40.75,)| Show InChI InChI=1S/C34H43NO3/c36-30-12-8-25(9-13-30)32(33-28-19-23-18-24(21-28)22-29(33)20-23)26-10-14-31(15-11-26)38-17-5-4-16-35-34(37)27-6-2-1-3-7-27/h8-15,23-24,27-29,36H,1-7,16-22H2,(H,35,37)/b33-32-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Induction of ERalpha protein degradation in human MCF7 cells assessed as reduction in ERalpha protein levels incubated for 24 hrs by In-cell western ...				ACS Med Chem Lett 11: 412-413 (2020) Article DOI: 10.1021/acsmedchemlett.0c00107 BindingDB Entry DOI: 10.7270/Q21839W6
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579594 (CHEMBL4859236 | US11453683, Example 36 | US2023027...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00545 BindingDB Entry DOI: 10.7270/Q2V69PDH
					More data for this Ligand-Target Pair
Lymphokine-activated killer T-cell-originated protein kinase (Homo sapiens (Human))	BDBM149054 (US8962648, 319) Show SMILES CC(C)(N)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12 Show InChI InChI=1S/C20H18N2O2S/c1-20(2,21)12-5-3-11(4-6-12)16-15(23)8-7-14-17(16)13-9-10-25-18(13)19(24)22-14/h3-10,23H,21H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...				US Patent US8962648 (2015) BindingDB Entry DOI: 10.7270/Q27H1H9K
					More data for this Ligand-Target Pair
Acetyl-coenzyme A synthetase, cytoplasmic (Homo sapiens)	BDBM50517069 (CHEMBL4449652) Show SMILES CCC(F)(F)c1cccc(NC(=O)C2C(C)=NN(C2=O)c2ccc(OC)cc2)c1 |c:15| Show InChI InChI=1S/C21H21F2N3O3/c1-4-21(22,23)14-6-5-7-15(12-14)24-19(27)18-13(2)25-26(20(18)28)16-8-10-17(29-3)11-9-16/h5-12,18H,4H2,1-3H3,(H,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.463	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of ACSS2 in human MDA-MB-468 cells assessed as 13C-acetate incorporation incubated for 5 hrs measured under hypoxic conditions by LCMS ana...				ACS Med Chem Lett 10: 1100-1101 (2019) Article DOI: 10.1021/acsmedchemlett.9b00295 BindingDB Entry DOI: 10.7270/Q2J969Q3
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50520566 (CHEMBL4458123) Show SMILES COc1cc(cc2CN([C@H]3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCCCCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r| Show InChI InChI=1S/C45H50N4O6/c1-54-40-28-34(26-33-29-49(45(53)43(33)40)39-18-19-41(51)46-44(39)52)48-23-21-47(22-24-48)20-6-3-7-25-55-36-14-10-31(11-15-36)42-37(30-8-4-2-5-9-30)16-12-32-27-35(50)13-17-38(32)42/h2,4-5,8-11,13-15,17,26-28,37,39,42,50H,3,6-7,12,16,18-25,29H2,1H3,(H,46,51,52)/t37-,39+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of ERalpha in human T47D cells by ERE-driven luciferase reporter gene assay based target engagement assay				ACS Med Chem Lett 11: 407-408 (2020) Article DOI: 10.1021/acsmedchemlett.0c00071 BindingDB Entry DOI: 10.7270/Q28S4T9H
					More data for this Ligand-Target Pair

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