Compile Data Set for Download or QSAR

Found 5316 hits with Last Name = 'yue' and Initial = 'ew'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13465 ((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O |r| Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assay				J Med Chem 48: 6544-8 (2005) Article DOI: 10.1021/jm0504555 BindingDB Entry DOI: 10.7270/Q2805252
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50300312 (4-amino-1,2,5-oxadiazole-3-carboximidamide | CHEMB...) Show SMILES Nc1nonc1C(NO)=NCc1ccccc1 |w:9.10| Show InChI InChI=1S/C10H11N5O2/c11-9-8(14-17-15-9)10(13-16)12-6-7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,11,15)(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...				J Med Chem 52: 7364-7 (2009) Article DOI: 10.1021/jm900518f BindingDB Entry DOI: 10.7270/Q29P32KW
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50300305 (4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...) Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10| Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Competitive inhibition of IDO1 (unknown origin)				ACS Med Chem Lett 8: 486-491 (2017) Article DOI: 10.1021/acsmedchemlett.6b00391 BindingDB Entry DOI: 10.7270/Q2G73H0Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293912 ((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293912 ((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293974 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(4-methoxy-...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O2/c1-5-15(13-6-7-13)23-10-17(20)22-18(19(23)24)21-14-8-12(3)16(25-4)9-11(14)2/h8-10,13,15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293964 ((S)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13467 ((2R)-2-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H23F4N3O11P2/c23-21(24,41(35,36)37)13-5-1-11(2-6-13)9-15(18(27)31)28-19(32)17(20(33)34)29-16(30)10-12-3-7-14(8-4-12)22(25,26)42(38,39)40/h1-8,15,17H,9-10H2,(H2,27,31)(H,28,32)(H,29,30)(H,33,34)(H2,35,36,37)(H2,38,39,40)/t15-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293941 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-methoxy-2...) Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C18H22ClN3O2/c1-10-8-15(24-4)11(2)7-14(10)20-17-18(23)22(9-16(19)21-17)12(3)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293941 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-methoxy-2...) Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C18H22ClN3O2/c1-10-8-15(24-4)11(2)7-14(10)20-17-18(23)22(9-16(19)21-17)12(3)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293916 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,6-dichlo...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H18Cl3N3O2/c1-3-13(9-4-5-9)23-8-14(20)21-16(17(23)24)22-15-11(18)6-10(25-2)7-12(15)19/h6-9,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293935 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-[2,6-dichlor...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r| Show InChI InChI=1S/C16H14Cl3F2N3O2/c1-7(8-2-3-8)24-6-12(19)22-14(15(24)25)23-13-10(17)4-9(5-11(13)18)26-16(20)21/h4-8,16H,2-3H2,1H3,(H,22,23)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293973 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(4-methoxy-...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O2/c1-5-15(13-6-7-13)23-10-16(20)21-18(19(23)24)22-17-11(2)8-14(25-4)9-12(17)3/h8-10,13,15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293914 ((R)-5-chloro-1-(1-cyclopropylpropyl)-3-(2,4-dichlo...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H18Cl3N3O/c1-3-13(10-4-5-10)23-8-14(20)21-16(17(23)24)22-15-9(2)6-11(18)7-12(15)19/h6-8,10,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293914 ((R)-5-chloro-1-(1-cyclopropylpropyl)-3-(2,4-dichlo...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H18Cl3N3O/c1-3-13(10-4-5-10)23-8-14(20)21-16(17(23)24)22-15-9(2)6-11(18)7-12(15)19/h6-8,10,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin releasing hormone receptor 2 (Sus scrofa)	BDBM50158983 (CHEMBL439883 | E G P P I S I D L S L E L L R K M I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C202H345N55O64S/c1-29-103(20)156(250-178(298)125(62-71-153(276)277)236-195(315)157(104(21)30-2)251-179(299)126(72-81-322-28)234-169(289)114(49-37-41-76-206)222-170(290)115(50-42-77-216-201(212)213)226-180(300)127(82-96(6)7)240-183(303)130(85-99(12)13)239-177(297)123(60-69-151(272)273)233-181(301)128(83-97(8)9)244-191(311)138(94-258)248-186(306)133(88-102(18)19)243-189(309)136(91-154(278)279)247-196(316)158(105(22)31-3)252-192(312)139(95-259)249-197(317)159(106(23)32-4)253-193(313)140-52-44-80-257(140)199(319)141-53-45-79-256(141)148(267)93-218-164(284)117-57-66-147(266)221-117)194(314)235-124(61-70-152(274)275)176(296)225-112(47-35-39-74-204)167(287)230-120(56-65-144(209)263)173(293)232-122(59-68-150(270)271)175(295)224-113(48-36-40-75-205)168(288)231-121(58-67-149(268)269)174(294)223-111(46-34-38-73-203)166(286)229-119(55-64-143(208)262)172(292)228-118(54-63-142(207)261)165(285)220-108(25)162(282)219-109(26)163(283)237-134(89-145(210)264)188(308)245-135(90-146(211)265)187(307)227-116(51-43-78-217-202(214)215)171(291)238-129(84-98(10)11)182(302)241-131(86-100(14)15)184(304)242-132(87-101(16)17)185(305)246-137(92-155(280)281)190(310)255-161(110(27)260)198(318)254-160(200(320)321)107(24)33-5/h96-141,156-161,258-260H,29-95,203-206H2,1-28H3,(H2,207,261)(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H,218,284)(H,219,282)(H,220,285)(H,221,266)(H,222,290)(H,223,294)(H,224,295)(H,225,296)(H,226,300)(H,227,307)(H,228,292)(H,229,286)(H,230,287)(H,231,288)(H,232,293)(H,233,301)(H,234,289)(H,235,314)(H,236,315)(H,237,283)(H,238,291)(H,239,297)(H,240,303)(H,241,302)(H,242,304)(H,243,309)(H,244,311)(H,245,308)(H,246,305)(H,247,316)(H,248,306)(H,249,317)(H,250,298)(H,251,299)(H,252,312)(H,253,313)(H,254,318)(H,255,310)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,212,213,216)(H4,214,215,217)/t103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-,161-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF2 receptor in pig choroid plexus by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293953 ((R)-5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)...) Show SMILES CC[C@H](COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C18H24ClN3O3/c1-6-13(10-24-4)22-9-16(19)21-17(18(22)23)20-14-7-12(3)15(25-5)8-11(14)2/h7-9,13H,6,10H2,1-5H3,(H,20,21)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293952 (5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)-1-(...) Show SMILES CCCC(CCC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O Show InChI InChI=1S/C20H28ClN3O2/c1-6-8-15(9-7-2)24-12-18(21)23-19(20(24)25)22-16-10-14(4)17(26-5)11-13(16)3/h10-12,15H,6-9H2,1-5H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293981 ((R)-5-Chloro-3-(7-chloro-5-methoxyindolin-1-yl)-1-...) Show SMILES COc1cc2CCN(c2c(Cl)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O |r| Show InChI InChI=1S/C18H19Cl2N3O2/c1-10(11-3-4-11)23-9-15(20)21-17(18(23)24)22-6-5-12-7-13(25-2)8-14(19)16(12)22/h7-11H,3-6H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293913 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,4,6-trim...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O/c1-5-15(14-6-7-14)23-10-16(20)21-18(19(23)24)22-17-12(3)8-11(2)9-13(17)4/h8-10,14-15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293913 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,4,6-trim...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O/c1-5-15(14-6-7-14)23-10-16(20)21-18(19(23)24)22-17-12(3)8-11(2)9-13(17)4/h8-10,14-15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293951 (5-Chloro-1-(1-ethylpropyl)-3-(4-methoxy-2,5-dimeth...) Show SMILES CCC(CC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O Show InChI InChI=1S/C18H24ClN3O2/c1-6-13(7-2)22-10-16(19)21-17(18(22)23)20-14-8-12(4)15(24-5)9-11(14)3/h8-10,13H,6-7H2,1-5H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293930 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trich...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1=O |r| Show InChI InChI=1S/C15H13Cl4N3O/c1-7(8-2-3-8)22-6-12(19)20-14(15(22)23)21-13-10(17)4-9(16)5-11(13)18/h4-8H,2-3H2,1H3,(H,20,21)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50529386 (CHEMBL4458634) Show SMILES COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H26ClN7O2/c1-12-17(25)10-16(14(3)32-23-20(13(2)30-32)22(26)28-11-29-23)21(34-6)19(12)15-7-8-27-18(9-15)24(33)31(4)5/h7-11,14H,1-6H3,(H2,26,28,29)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293982 ((R)-3-(7-Bromo-5-methoxyindolin-1-yl)-5-chloro-1-(...) Show SMILES COc1cc2CCN(c2c(Br)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O |r| Show InChI InChI=1S/C18H19BrClN3O2/c1-10(11-3-4-11)23-9-15(20)21-17(18(23)24)22-6-5-12-7-13(25-2)8-14(19)16(12)22/h7-11H,3-6H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293929 ((R)-5-Chloro-3-(2-chloro-4,6-dimethylphenylamino)-...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H19Cl2N3O/c1-9-6-10(2)15(13(18)7-9)21-16-17(23)22(8-14(19)20-16)11(3)12-4-5-12/h6-8,11-12H,4-5H2,1-3H3,(H,20,21)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50529384 (CHEMBL4438376) Show SMILES COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C21H21ClN6O3S/c1-11-17(22)6-15(12(2)28-21-16(7-23)20(24)26-10-27-21)19(31-3)18(11)13-5-14(9-25-8-13)32(4,29)30/h5-6,8-10,12H,1-4H3,(H3,24,26,27,28)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM272573 (US10065963, 32c | US10376513, Example 346 | US1064...) Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM261330 (US10092570, Example 352 | US9707233, 350) Show SMILES CCOc1c(cc(Cl)c(C#N)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C21H22ClN7O2/c1-4-31-19-13(6-15(22)14(7-23)18(19)12-5-16(30)25-8-12)11(3)29-21-17(10(2)28-29)20(24)26-9-27-21/h6,9,11-12H,4-5,8H2,1-3H3,(H,25,30)(H2,24,26,27)/t11-,12?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293910 ((S)-5-chloro-1-(1-cyclopropylethyl)-3-(2,6-dichlor...) Show SMILES C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r| Show InChI InChI=1S/C16H14Cl3F2N3O2/c1-7(8-2-3-8)24-6-12(19)22-14(15(24)25)23-13-10(17)4-9(5-11(13)18)26-16(20)21/h4-8,16H,2-3H2,1H3,(H,22,23)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM272573 (US10065963, 32c | US10376513, Example 346 | US1064...) Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]-ATP base...				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293927 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,6-dichlor...) Show SMILES COc1cc(Cl)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(Cl)c1 |r| Show InChI InChI=1S/C16H16Cl3N3O2/c1-8(9-3-4-9)22-7-13(19)20-15(16(22)23)21-14-11(17)5-10(24-2)6-12(14)18/h5-9H,3-4H2,1-2H3,(H,20,21)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293927 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,6-dichlor...) Show SMILES COc1cc(Cl)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(Cl)c1 |r| Show InChI InChI=1S/C16H16Cl3N3O2/c1-8(9-3-4-9)22-7-13(19)20-15(16(22)23)21-14-11(17)5-10(24-2)6-12(14)18/h5-9H,3-4H2,1-2H3,(H,20,21)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM272573 (US10065963, 32c | US10376513, Example 346 | US1064...) Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in AKT phosphorylation incubated for 2 hrs by Alexa flour 488 based FACS analysis				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293915 ((R)-3,5-Dichloro-4-[6-chloro-4-(1-cyclopropylpropy...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r| Show InChI InChI=1S/C17H15Cl3N4O/c1-2-13(10-3-4-10)24-8-14(20)22-16(17(24)25)23-15-11(18)5-9(7-21)6-12(15)19/h5-6,8,10,13H,2-4H2,1H3,(H,22,23)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293915 ((R)-3,5-Dichloro-4-[6-chloro-4-(1-cyclopropylpropy...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r| Show InChI InChI=1S/C17H15Cl3N4O/c1-2-13(10-3-4-10)24-8-14(20)22-16(17(24)25)23-15-11(18)5-9(7-21)6-12(15)19/h5-6,8,10,13H,2-4H2,1H3,(H,22,23)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293986 ((R)-5-Bromo-1-(1-cyclopropylethyl)-3-[6-methoxy-2-...) Show SMILES COc1ccc(Nc2nc(Br)cn([C@H](C)C3CC3)c2=O)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C16H16BrF3N4O2/c1-8(9-3-4-9)24-7-11(17)22-14(15(24)25)21-10-5-6-12(26-2)23-13(10)16(18,19)20/h5-9H,3-4H2,1-2H3,(H,21,22)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50084875 (8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...) Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)| Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293937 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,4-dichlor...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O |r| Show InChI InChI=1S/C16H16Cl3N3O/c1-8-5-11(17)6-12(18)14(8)21-15-16(23)22(7-13(19)20-15)9(2)10-3-4-10/h5-7,9-10H,3-4H2,1-2H3,(H,20,21)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293942 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-ethoxy-2,...) Show SMILES CCOc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C19H24ClN3O2/c1-5-25-16-9-11(2)15(8-12(16)3)21-18-19(24)23(10-17(20)22-18)13(4)14-6-7-14/h8-10,13-14H,5-7H2,1-4H3,(H,21,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293922 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,6-dichlo...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C17H15Cl3F3N3O/c1-2-12(8-3-4-8)26-7-13(20)24-15(16(26)27)25-14-10(18)5-9(6-11(14)19)17(21,22)23/h5-8,12H,2-4H2,1H3,(H,24,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293959 ((R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(2...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O2/c1-11-7-12(2)17(13(3)8-11)22-18-19(24)23(9-16(20)21-18)15(10-25-4)14-5-6-14/h7-9,14-15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM261317 (US10376513, Example 310 | US11433071, Example 311 ...) Show SMILES CCOc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C21H25ClN6O2/c1-5-30-19-14(7-15(22)10(2)17(19)13-6-16(29)24-8-13)12(4)28-21-18(11(3)27-28)20(23)25-9-26-21/h7,9,12-13H,5-6,8H2,1-4H3,(H,24,29)(H2,23,25,26)/t12-,13?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293960 ((R)-5-Chloro-1-[1-(methoxymethyl)propyl]-3-(2,4,6-...) Show SMILES CC[C@H](COC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r| Show InChI InChI=1S/C18H24ClN3O2/c1-6-14(10-24-5)22-9-15(19)20-17(18(22)23)21-16-12(3)7-11(2)8-13(16)4/h7-9,14H,6,10H2,1-5H3,(H,20,21)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293975 ((R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES CCOc1cc(C)c(Nc2nc(Cl)cn([C@@H](COC)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C20H26ClN3O3/c1-5-27-17-9-12(2)15(8-13(17)3)22-19-20(25)24(10-18(21)23-19)16(11-26-4)14-6-7-14/h8-10,14,16H,5-7,11H2,1-4H3,(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293978 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-[ethyl(2,4,...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(N(CC)c2cc(C)c(C)cc2C)c1=O |r| Show InChI InChI=1S/C21H28ClN3O/c1-6-17(16-8-9-16)25-12-19(22)23-20(21(25)26)24(7-2)18-11-14(4)13(3)10-15(18)5/h10-12,16-17H,6-9H2,1-5H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293925 ((R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-[2...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C17H15Cl3F3N3O2/c1-28-7-12(8-2-3-8)26-6-13(20)24-15(16(26)27)25-14-10(18)4-9(5-11(14)19)17(21,22)23/h4-6,8,12H,2-3,7H2,1H3,(H,24,25)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13469 (({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	22
Incyte Corporation					Assay Description The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...				J Biol Chem 281: 38013-21 (2006) Article DOI: 10.1074/jbc.M607913200 BindingDB Entry DOI: 10.7270/Q2JW8C4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50529381 (CHEMBL4446120) Show SMILES COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C21H21ClN6O3S/c1-11-16(22)6-15(12(2)28-21-18-20(25-9-24-18)26-10-27-21)19(31-3)17(11)13-5-14(8-23-7-13)32(4,29)30/h5-10,12H,1-4H3,(H2,24,25,26,27,28)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...				ACS Med Chem Lett 10: 1554-1560 (2019) Article DOI: 10.1021/acsmedchemlett.9b00334 BindingDB Entry DOI: 10.7270/Q2ST7T86
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293920 ((R)-3,5-Dichloro-4-{6-chloro-4-[1-(methoxymethyl)p...) Show SMILES CC[C@H](COC)n1cc(Cl)nc(Nc2c(Cl)cc(cc2Cl)C#N)c1=O |r| Show InChI InChI=1S/C16H15Cl3N4O2/c1-3-10(8-25-2)23-7-13(19)21-15(16(23)24)22-14-11(17)4-9(6-20)5-12(14)18/h4-5,7,10H,3,8H2,1-2H3,(H,21,22)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
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