Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'clark' and Initial = 'kr'   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547978 (CHEMBL4758147) Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547986 (CHEMBL4786638) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547968 (CHEMBL4780489) Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547981 (CHEMBL4740654) Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547987 (CHEMBL4760343) Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F |r,wU:2.0,wD:5.7,(58.19,-8.97,;58.91,-6.74,;60.41,-7.06,;61.45,-5.92,;62.95,-6.24,;63.42,-7.71,;62.4,-8.85,;60.89,-8.53,;64.93,-8.03,;65.96,-6.89,;65.48,-5.43,;66.51,-4.28,;68.01,-4.61,;68.48,-6.06,;69.88,-6.68,;69.73,-8.22,;68.22,-8.54,;67.45,-7.2,;71.22,-5.91,;71.22,-4.37,;72.55,-6.68,;73.89,-5.92,;73.89,-4.37,;72.55,-3.6,;75.22,-3.6,;76.55,-4.36,;76.56,-5.91,;77.89,-6.68,;79.22,-5.9,;78.44,-4.57,;79.99,-4.56,;80.56,-6.68,;81.89,-5.91,;83.22,-6.68,;84.55,-5.91,;84.56,-4.37,;83.21,-3.6,;81.89,-4.37,;75.22,-6.69,;75.22,-8.23,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547982 (CHEMBL4749836) Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547988 (CHEMBL4781285) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |r,wU:1.0,wD:4.7,(2.27,-26,;3.78,-26.32,;4.8,-25.18,;6.3,-25.5,;6.78,-26.96,;5.75,-28.11,;4.24,-27.79,;8.29,-27.28,;9.32,-26.13,;8.84,-24.68,;9.87,-23.53,;11.37,-23.86,;11.85,-25.31,;13.24,-25.93,;13.09,-27.47,;11.58,-27.79,;10.81,-26.45,;14.58,-25.16,;14.58,-23.62,;15.91,-25.93,;17.25,-25.17,;17.25,-23.62,;15.91,-22.85,;18.58,-22.85,;19.91,-23.61,;19.92,-25.16,;21.25,-25.93,;22.58,-25.15,;21.8,-23.82,;23.35,-23.81,;23.92,-25.93,;23.91,-27.47,;25.25,-28.25,;26.59,-27.47,;26.59,-25.92,;25.25,-25.15,;25.24,-23.61,;18.58,-25.94,;18.58,-27.48,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50547984 (CHEMBL4753081) Show SMILES Cl.Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:37.38,wD:34.34,(59.73,-45.54,;69.53,-50.16,;69.53,-48.62,;70.85,-47.85,;70.85,-46.32,;72.18,-45.55,;72.18,-44.01,;73.52,-46.32,;74.85,-45.55,;74.85,-44,;73.52,-43.24,;76.18,-43.23,;77.52,-44,;77.52,-45.55,;78.86,-46.32,;80.18,-45.54,;79.4,-44.2,;80.95,-44.19,;81.52,-46.31,;81.51,-47.86,;82.85,-48.63,;82.85,-50.17,;84.19,-47.86,;84.19,-46.3,;82.85,-45.53,;82.84,-43.99,;76.18,-46.32,;76.18,-47.86,;69.51,-45.55,;69.52,-44.02,;68.19,-43.25,;66.86,-44.02,;66.87,-45.55,;65.54,-46.32,;64.2,-45.55,;64.2,-44.02,;62.87,-43.25,;61.54,-44.02,;60.2,-43.24,;61.53,-45.56,;62.87,-46.33,;68.19,-46.31,;68.18,-47.85,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50265275 (4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c...) Show SMILES Ic1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C14H8IN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169081 (CHEMBL3806220) Show SMILES N#Cc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H8N6OS/c16-6-9-1-3-10(4-2-9)22-12-7-17-8-14-11(12)5-13(23-14)15-18-20-21-19-15/h1-5,7-8H,(H,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50265311 (4-(4-chlorophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3...) Show SMILES Clc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C14H8ClN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169082 (CHEMBL3805960) Show SMILES FC(F)(F)Oc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H8F3N5O2S/c16-15(17,18)25-9-3-1-8(2-4-9)24-11-6-19-7-13-10(11)5-12(26-13)14-20-22-23-21-14/h1-7H,(H,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169062 (CHEMBL3805194) Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(N)c2s1 Show InChI InChI=1S/C14H10ClN3O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,16,18)(H2,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50265309 (2-(2H-tetrazol-5-yl)-4-(p-tolyloxy)thieno[2,3-c]py...) Show SMILES Cc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H11N5OS/c1-9-2-4-10(5-3-9)21-12-7-16-8-14-11(12)6-13(22-14)15-17-19-20-18-15/h2-8H,1H3,(H,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169080 (CHEMBL3806173) Show SMILES CC(=O)Nc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C16H12N6O2S/c1-9(23)18-10-2-4-11(5-3-10)24-13-7-17-8-15-12(13)6-14(25-15)16-19-21-22-20-16/h2-8H,1H3,(H,18,23)(H,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250892 (CHEMBL4061254 | US10696655, Example 63 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169078 (CHEMBL3804919) Show SMILES OC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C14H8ClNO3S/c15-8-1-3-9(4-2-8)19-11-6-16-7-13-10(11)5-12(20-13)14(17)18/h1-7H,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50264866 (4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250880 (CHEMBL4068116) Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r| Show InChI InChI=1S/C24H25F2N5O/c1-14-9-22(32)29-19-6-3-7-20(23(19)28-14)31-8-4-5-15-10-17(16-12-27-30(2)13-16)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,28H,4-5,8-9H2,1-2H3,(H,29,32)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250911 (CHEMBL4095153 | US10696655, Example 45 | US1116807...) Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3cc(N4CCOCC4)c4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C27H30F2N6O2/c1-31-16-18(15-30-31)20-11-17-5-4-6-35(22(17)14-21(20)26(28)29)19-12-23-25(33(3)27(36)32(23)2)24(13-19)34-7-9-37-10-8-34/h11-16,26H,4-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50043710 (CHEMBL3356007) Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:38.42,wD:35.38,(34.99,-3.81,;33.66,-4.59,;32.33,-3.83,;31,-4.6,;29.66,-3.83,;28.33,-4.6,;29.09,-5.93,;27.56,-5.92,;27,-3.83,;27,-2.29,;25.67,-1.52,;24.34,-2.29,;24.34,-3.84,;25.67,-4.6,;25.68,-6.14,;31,-6.14,;29.67,-6.91,;29.67,-8.45,;31.01,-9.22,;32.34,-8.44,;32.33,-6.91,;33.67,-6.14,;35,-6.91,;36.34,-6.14,;36.32,-4.6,;37.65,-3.82,;38.99,-4.59,;39,-6.13,;37.66,-6.9,;37.67,-8.44,;36.33,-9.21,;36.33,-10.75,;37.67,-11.52,;39,-10.74,;40.34,-11.51,;41.67,-10.73,;43,-11.5,;44.32,-10.74,;44.33,-9.2,;45.66,-8.43,;42.99,-8.43,;41.65,-9.2,;39,-9.21,)| Show InChI InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C (Homo sapiens (Human))	BDBM50169079 (CHEMBL3805857) Show SMILES NC(=O)c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H10N6O2S/c16-14(22)8-1-3-9(4-2-8)23-11-6-17-7-13-10(11)5-12(24-13)15-18-20-21-19-15/h1-7H,(H2,16,22)(H,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250913 (CHEMBL4073812 | US10696655, Example 67 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2cnc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C23H22F2N6O/c1-26-23(32)18-10-27-19-11-28-21(8-16(18)19)31-5-3-4-13-6-15(14-9-29-30(2)12-14)17(22(24)25)7-20(13)31/h6-12,22,27H,3-5H2,1-2H3,(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50105215 (4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C#N)cncc2s1 Show InChI InChI=1S/C15H9N3O2S/c16-6-9-1-3-10(4-2-9)20-12-7-18-8-14-11(12)5-13(21-14)15(17)19/h1-5,7-8H,(H2,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169071 (CHEMBL3806024) Show SMILES CNC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1 Show InChI InChI=1S/C15H11IN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C (Homo sapiens (Human))	BDBM50169083 (CHEMBL3805667) Show SMILES Fc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C14H8FN5OS/c15-8-1-3-9(4-2-8)21-11-6-16-7-13-10(11)5-12(22-13)14-17-19-20-18-14/h1-7H,(H,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50105170 (4-p-Tolyloxy-thieno[2,3-c]pyridine-2-carboxylic ac...) Show SMILES Cc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C15H12N2O2S/c1-9-2-4-10(5-3-9)19-12-7-17-8-14-11(12)6-13(20-14)15(16)18/h2-8H,1H3,(H2,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50105181 (4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C14H9ClN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169064 (CHEMBL3806134) Show SMILES Cc1ncc(Oc2ccc(Cl)cc2)c2cc(sc12)C(N)=O Show InChI InChI=1S/C15H11ClN2O2S/c1-8-14-11(6-13(21-14)15(17)19)12(7-18-8)20-10-4-2-9(16)3-5-10/h2-7H,1H3,(H2,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50105159 (4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C15H11ClN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50265277 (4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin...) Show SMILES O(c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1 Show InChI InChI=1S/C14H9N5OS/c1-2-4-9(5-3-1)20-11-7-15-8-13-10(11)6-12(21-13)14-16-18-19-17-14/h1-8H,(H,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250896 (CHEMBL4065346 | US10696655, Example 52 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C (Homo sapiens (Human))	BDBM50169067 (CHEMBL3805684) Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(Cl)c2s1 Show InChI InChI=1S/C14H8Cl2N2O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169070 (CHEMBL3806182) Show SMILES NC(=O)c1cc2c(Oc3ccc(OC(F)(F)F)cc3)cncc2s1 Show InChI InChI=1S/C15H9F3N2O3S/c16-15(17,18)23-9-3-1-8(2-4-9)22-11-6-20-7-13-10(11)5-12(24-13)14(19)21/h1-7H,(H2,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250909 (CHEMBL4076254 | US10696655, Example 113 | US111680...) Show SMILES CNC(=O)N1CCOc2ccc(cc2C1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H27F2N5O2/c1-28-25(33)31-8-9-34-23-6-5-19(10-17(23)15-31)32-7-3-4-16-11-20(18-13-29-30(2)14-18)21(24(26)27)12-22(16)32/h5-6,10-14,24H,3-4,7-9,15H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50105153 (4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...) Show SMILES CCNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C16H13ClN2O2S/c1-2-19-16(20)14-7-12-13(8-18-9-15(12)22-14)21-11-5-3-10(17)4-6-11/h3-9H,2H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169068 (CHEMBL3806291) Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cnc(F)c2s1 Show InChI InChI=1S/C14H8ClFN2O2S/c15-7-1-3-8(4-2-7)20-10-6-18-13(16)12-9(10)5-11(21-12)14(17)19/h1-6H,(H2,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250910 (CHEMBL4072630 | US10696655, Example 18 | US1116807...) Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169069 (CHEMBL3806265) Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C(N)=O)cncc2s1 Show InChI InChI=1S/C15H11N3O3S/c16-14(19)8-1-3-9(4-2-8)21-11-6-18-7-13-10(11)5-12(22-13)15(17)20/h1-7H,(H2,16,19)(H2,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50547988 (CHEMBL4781285) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |r,wU:1.0,wD:4.7,(2.27,-26,;3.78,-26.32,;4.8,-25.18,;6.3,-25.5,;6.78,-26.96,;5.75,-28.11,;4.24,-27.79,;8.29,-27.28,;9.32,-26.13,;8.84,-24.68,;9.87,-23.53,;11.37,-23.86,;11.85,-25.31,;13.24,-25.93,;13.09,-27.47,;11.58,-27.79,;10.81,-26.45,;14.58,-25.16,;14.58,-23.62,;15.91,-25.93,;17.25,-25.17,;17.25,-23.62,;15.91,-22.85,;18.58,-22.85,;19.91,-23.61,;19.92,-25.16,;21.25,-25.93,;22.58,-25.15,;21.8,-23.82,;23.35,-23.81,;23.92,-25.93,;23.91,-27.47,;25.25,-28.25,;26.59,-27.47,;26.59,-25.92,;25.25,-25.15,;25.24,-23.61,;18.58,-25.94,;18.58,-27.48,)| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50547986 (CHEMBL4786638) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C (Homo sapiens (Human))	BDBM50169076 (CHEMBL3806114) Show SMILES Clc1ccc(Oc2cncc3sc(cc23)C(=O)NC2CC2)cc1 Show InChI InChI=1S/C17H13ClN2O2S/c18-10-1-5-12(6-2-10)22-14-8-19-9-16-13(14)7-15(23-16)17(21)20-11-3-4-11/h1-2,5-9,11H,3-4H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50105218 (4-(4-Methoxy-phenoxy)-thieno[2,3-c]pyridine-2-carb...) Show SMILES COc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C15H12N2O3S/c1-19-9-2-4-10(5-3-9)20-12-7-17-8-14-11(12)6-13(21-14)15(16)18/h2-8H,1H3,(H2,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50105206 (4-(4-Acetylamino-phenoxy)-thieno[2,3-c]pyridine-2-...) Show SMILES CC(=O)Nc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1 Show InChI InChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169073 (CHEMBL3805204) Show SMILES CCC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C16H12ClNO2S/c1-2-13(19)15-7-12-14(8-18-9-16(12)21-15)20-11-5-3-10(17)4-6-11/h3-9H,2H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50547987 (CHEMBL4760343) Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F |r,wU:2.0,wD:5.7,(58.19,-8.97,;58.91,-6.74,;60.41,-7.06,;61.45,-5.92,;62.95,-6.24,;63.42,-7.71,;62.4,-8.85,;60.89,-8.53,;64.93,-8.03,;65.96,-6.89,;65.48,-5.43,;66.51,-4.28,;68.01,-4.61,;68.48,-6.06,;69.88,-6.68,;69.73,-8.22,;68.22,-8.54,;67.45,-7.2,;71.22,-5.91,;71.22,-4.37,;72.55,-6.68,;73.89,-5.92,;73.89,-4.37,;72.55,-3.6,;75.22,-3.6,;76.55,-4.36,;76.56,-5.91,;77.89,-6.68,;79.22,-5.9,;78.44,-4.57,;79.99,-4.56,;80.56,-6.68,;81.89,-5.91,;83.22,-6.68,;84.55,-5.91,;84.56,-4.37,;83.21,-3.6,;81.89,-4.37,;75.22,-6.69,;75.22,-8.23,)| Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50547970 (CHEMBL4757144) Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50169074 (CHEMBL3806037) Show SMILES CC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Show InChI InChI=1S/C15H10ClNO2S/c1-9(18)14-6-12-13(7-17-8-15(12)20-14)19-11-4-2-10(16)3-5-11/h2-8H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc Curated by ChEMBL					Assay Description Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay				ACS Med Chem Lett 7: 223-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00278 BindingDB Entry DOI: 10.7270/Q29G5PPC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50547971 (CHEMBL4758021) Show SMILES Nc1ncnc2c(cc(cc12)-c1ccncc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00344 BindingDB Entry DOI: 10.7270/Q24Q7ZMD
					More data for this Ligand-Target Pair

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