Compile Data Set for Download or QSAR

Found 1348 hits with Last Name = 'hoyt' and Initial = 'sb'   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50216671 (CHEMBL247828 | tert-butyl (R)-1-((R)-1-isopropyl-2...) Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human inactive state Nav1.7 by whole cell electrophysiology				Bioorg Med Chem Lett 17: 4630-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.076 BindingDB Entry DOI: 10.7270/Q2HX1CCF
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM286224 (4-(6-fluoro-3-ethylimidazo[1,2- a]pyridin-2-yl)iso...) Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc2ccccc12 Show InChI InChI=1S/C17H12FN3/c1-11-17(20-16-7-6-13(18)10-21(11)16)15-9-19-8-12-4-2-3-5-14(12)15/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50249076 (CHEMBL4096914) Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(Cl)ccc(F)c12 Show InChI InChI=1S/C15H13ClFN3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3	PDB 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...				Bioorg Med Chem Lett 27: 2384-2388 (2017) Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50092190 (CHEMBL3582482) Show SMILES Cc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1C Show InChI InChI=1S/C17H15F2N3/c1-9-7-20-8-12(10(9)2)17-21-15-5-13(18)14(19)6-16(15)22(17)11-3-4-11/h5-8,11H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50092142 (CHEMBL3582477) Show SMILES CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8+,9-,10+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM286221 (6-fluoro-3-methyl-2-(5- methoxypyridin-3- yl)imida...) Show SMILES COc1cncc(c1)-c1nc2ccc(F)cn2c1C Show InChI InChI=1S/C14H12FN3O/c1-9-14(10-5-12(19-2)7-16-6-10)17-13-4-3-11(15)8-18(9)13/h3-8H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50249075 (CHEMBL4069720) Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(F)ccc(F)c12 Show InChI InChI=1S/C15H13F2N3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...				Bioorg Med Chem Lett 27: 2384-2388 (2017) Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50092185 (CHEMBL3582474) Show SMILES COc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H13F2N3O/c1-22-11-4-9(7-19-8-11)16-20-14-5-12(17)13(18)6-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50092182 (CHEMBL3582470) Show SMILES Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl Show InChI InChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM286222 (6-fluoro-3-methyl-2-(5- methylpyridin-3-yl)imidazo...) Show SMILES Cc1c(nc2ccc(F)cn12)-c1cncc(C)c1 Show InChI InChI=1S/C14H12FN3/c1-9-5-11(7-16-6-9)14-10(2)18-8-12(15)3-4-13(18)17-14/h3-8H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621081 (6-(6-(1-methylcyclo- propyl)imidazo[1,2- a]pyridin...) Show SMILES CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621126 (6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-yl)...) Show SMILES FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621127 (6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-yl)...) Show SMILES CO[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C(F)F |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621130 (N-(6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-...) Show SMILES FC(F)c1ccc2ncc(-c3cccc(NC4CCC5(CNC5)C4)n3)n2c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621131 (N-(6-(6- (difluoromethyl)imidazo[1,2- a]pyridin-3-...) Show SMILES FC(F)c1ccc2ncc(-c3cccc(NC4CC5(C4)CCNC5)n3)n2c1 |(-6.48,3.83,;-5.15,3.06,;-5.15,1.52,;-3.81,3.83,;-3.81,5.37,;-2.48,6.14,;-1.14,5.37,;.32,5.85,;1.23,4.6,;.32,3.36,;1.09,2.02,;0,.93,;.4,-.55,;1.89,-.95,;2.98,.14,;4.46,-.26,;5.23,-1.6,;4.14,-2.68,;5.23,-3.77,;6.32,-2.68,;3.99,-4.68,;4.46,-6.14,;6,-6.14,;6.48,-4.68,;2.58,1.62,;-1.14,3.83,;-2.48,3.06,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621134 (N-((3S,4S)-4- fluoropiperidin-3-yl)-6-(7- isopropo...) Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50092137 (CHEMBL3582481) Show SMILES Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1 Show InChI InChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay				ACS Med Chem Lett 6: 573-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00054 BindingDB Entry DOI: 10.7270/Q2K64KT8
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621135 (4-fluoro-N-((3S,4S)-4- fluoropyrrolidin-3-yl)-6- (...) Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1cc(F)cc(N[C@H]2CNC[C@@H]2F)n1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621137 (3,5-difluoro-N-((3S,4S)-4- fluoropiperidin-3-yl)-6...) Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621137 (3,5-difluoro-N-((3S,4S)-4- fluoropiperidin-3-yl)-6...) Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621138 (N-((3S,4S)-4- fluoropiperidin-3-yl)-4-(7- isopropo...) Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1ccnc(N[C@H]2CNCC[C@@H]2F)n1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621140 (US20230303563, Compound 215) Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1)C(F)(F)F |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621141 (US20230303563, Compound 216) Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621141 (US20230303563, Compound 216) Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621142 (Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...) Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621142 (Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...) Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621144 (6-(6-chloro-7- isopropoxyimidazo[1,2- a]pyridin-3-...) Show SMILES CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621147 (US20230303563, Compound 224) Show SMILES F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(OC3CC3)ccn12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621148 (US20230303563, Compound 226) Show SMILES FC(F)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621149 (US20230303563, Compound 231) Show SMILES COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621107 (N-((3S,4S)-3-fluoro- piperidin-4-yl)-6-(7- methoxy...) Show SMILES COc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621109 (N-((3S,4S)-4-fluoro- pyrrolidin-3-yl)-6-(7- methox...) Show SMILES COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621111 (1-(4-(3-(6-((4,4-difluoro- pyrrolidin-3-yl)amino)-...) Show SMILES COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621112 (N-(4,4-difluoropyrrolidin- 3-yl)-6-(7-methoxy-6-(1...) Show SMILES COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(F)(F)F)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621113 (N-(4,4-difluoropyrrolidin- 3-yl)-6-(7-methoxy-6-(1...) Show SMILES COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(C)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621115 (US20230303563, Compound 117) Show SMILES OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621115 (US20230303563, Compound 117) Show SMILES OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621116 (2-(3-(6-(((3S,4S)-4- fluoropyrrolidin-3- yl)amino)...) Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621116 (2-(3-(6-(((3S,4S)-4- fluoropyrrolidin-3- yl)amino)...) Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621121 (6-(6-cyclopropylimidazo[1,2- a]pyridin-3-yl)-N-((3...) Show SMILES FC(F)[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621098 (6-(6-(difluorometh- oxy)imidazo[1,2-a]- pyridin-3-...) Show SMILES FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621103 (US20230303563, Compound 61) Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50206963 (CHEMBL3948337 | US9518055, Example 41) Show SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12 Show InChI InChI=1S/C19H14FN3/c20-14-7-8-17-22-18(19(12-5-6-12)23(17)11-14)16-10-21-9-13-3-1-2-4-15(13)16/h1-4,7-12H,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...				US Patent US9518055 (2016) BindingDB Entry DOI: 10.7270/Q23B625B
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621083 ((R)-N-(6-(6-(1- methylcyclopropyl)- imidazo-[1,2-a...) Show SMILES CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621083 ((R)-N-(6-(6-(1- methylcyclopropyl)- imidazo-[1,2-a...) Show SMILES CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNCC44CC4)n3)n2c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621085 (2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...) Show SMILES CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621086 ((S)-2-(3-(6-((4,4- difluoropiperidin-3- yl)amino)p...) Show SMILES CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCCC4(F)F)n3)n2c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621087 (2-(3-(3,5-difluoro-6- (((3S,4S)-4-fluoro- pyrrolid...) Show SMILES CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM621089 (US20230303563, Compound 29) Show SMILES F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM621089 (US20230303563, Compound 29) Show SMILES F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2ccc(cn12)C1(CC1)C(F)(F)F |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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