BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
24189	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	KTUFNOKKBVMGRW-UHFFFAOYSA-N	13530	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide::CHEMBL941::Gleevec::Imatinib::Imatinib, 21::N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide::STI-571::STI571::US10906896, Cpd imatinib::US11649218, Example Imatinib::US9255107, Imatinib::cid_5291::imatinib-CD3::med.21724, Compound 6	Tyrosine-protein kinase ABL1 [201-500,H396P]	Homo sapiens			 60						Curated from the literature by BindingDB	10.1073/pnas.0504952102	10.7270/Q29C6VNB	16046538	aid1797044		Carter, TA; Wodicka, LM; Shah, NP; Velasco, AM; Fabian, MA; Treiber, DK; Milanov, ZV; Atteridge, CE; Biggs, WH; Edeen, PT; Floyd, M; Ford, JM; Grotzfeld, RM; Herrgard, S; Insko, DE; Mehta, SA; Patel, HK; Pao, W; Sawyers, CL; Varmus, H; Zarrinkar, PP; Lockhart, DJ	Ambit, Inc.	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13530	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1391&target=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13530&enzyme=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	STI	6HD6,6HD4,2HYY,4BKJ,2PL0,3GVU,6NPU,6NPV,6NPE,4CSV,3MS9,3MSS,4R7I,7N9G,2OIQ,1IEP,1XBB,3HEC,1T46,3FW1,3PYY,6VXH,6JOL,3K5V,5MQT,3OEZ,6KTN,1OPJ	5291	46513933	45783	CHEMBL941	DB00619	5687		ZINC19632618	1	HHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES	2G2F,2G2H,2G2I,2HYY,2HZ4,4WA9,5HU9,8H7F,8H7H	Tyrosine-protein kinase ABL1	ABL1_HUMAN	P00519	A3KFJ3 Q13869 Q13870 Q16133 Q17R61 Q45F09						
24195	Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	13216	BMS-354825::CHEMBL1421::DASATINIB::N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide::N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide::US10294227, Code Dasatinib::cid_3062316::med.21724, Compound Dasatinib	Tyrosine-protein kinase ABL1 [201-500,H396P]	Homo sapiens			 1						Curated from the literature by BindingDB	10.1073/pnas.0504952102	10.7270/Q29C6VNB	16046538	aid1797044		Carter, TA; Wodicka, LM; Shah, NP; Velasco, AM; Fabian, MA; Treiber, DK; Milanov, ZV; Atteridge, CE; Biggs, WH; Edeen, PT; Floyd, M; Ford, JM; Grotzfeld, RM; Herrgard, S; Insko, DE; Mehta, SA; Patel, HK; Pao, W; Sawyers, CL; Varmus, H; Zarrinkar, PP; Lockhart, DJ	Ambit, Inc.	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13216	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1391&target=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13216&enzyme=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	1N1	5BVW,5OWR,6FNM,6BSD,5I9Y,2ZVA,3OCT,7ERK,3QLG,3SXR,7N9G,4XLI,3OHT,2Y6O,3LFA,4XEY,2GQG,3K54,3G5D,4QMS,5VCV,5H2U	3062316	46513626	49375	CHEMBL1421	DB01254	5678		ZINC21982951	1	HHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES	2G2F,2G2H,2G2I,2HYY,2HZ4,4WA9,5HU9,8H7F,8H7H	Tyrosine-protein kinase ABL1	ABL1_HUMAN	P00519	A3KFJ3 Q13869 Q13870 Q16133 Q17R61 Q45F09						
24219	Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F	InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)	SLCFEJAMCRLYRG-UHFFFAOYSA-N	6572	6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one::6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one::PD-180970::PD180970	Tyrosine-protein kinase ABL1 [201-500,H396P]	Homo sapiens			 1						Curated from the literature by BindingDB	10.1073/pnas.0504952102	10.7270/Q29C6VNB	16046538	aid1797044		Carter, TA; Wodicka, LM; Shah, NP; Velasco, AM; Fabian, MA; Treiber, DK; Milanov, ZV; Atteridge, CE; Biggs, WH; Edeen, PT; Floyd, M; Ford, JM; Grotzfeld, RM; Herrgard, S; Insko, DE; Mehta, SA; Patel, HK; Pao, W; Sawyers, CL; Varmus, H; Zarrinkar, PP; Lockhart, DJ	Ambit, Inc.	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=6572	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1391&target=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=6572&enzyme=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	JIN	2HZI	5311104	8036149						ZINC00602675	1	HHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES	2G2F,2G2H,2G2I,2HYY,2HZ4,4WA9,5HU9,8H7F,8H7H	Tyrosine-protein kinase ABL1	ABL1_HUMAN	P00519	A3KFJ3 Q13869 Q13870 Q16133 Q17R61 Q45F09						
24225	Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C	InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	MVCOAUNKQVWQHZ-UHFFFAOYSA-N	13533	1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea::1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea::3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea::3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea::BIRB 796::BIRB-796::BIRB-796, 3::CHEMBL103667::D3RKN_73::Doramapimod::US11407771, Compound 43::US8933228, BIRB 796::US9187470, 43 (BIRB-796)::US9242960, BIRB 796::US9260410, BIRB796::cid_156422::diaryl urea compound 10	Tyrosine-protein kinase ABL1 [201-500,H396P]	Homo sapiens			>10000						Curated from the literature by BindingDB	10.1073/pnas.0504952102	10.7270/Q29C6VNB	16046538	aid1797044		Carter, TA; Wodicka, LM; Shah, NP; Velasco, AM; Fabian, MA; Treiber, DK; Milanov, ZV; Atteridge, CE; Biggs, WH; Edeen, PT; Floyd, M; Ford, JM; Grotzfeld, RM; Herrgard, S; Insko, DE; Mehta, SA; Patel, HK; Pao, W; Sawyers, CL; Varmus, H; Zarrinkar, PP; Lockhart, DJ	Ambit, Inc.	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13533	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1391&target=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13533&enzyme=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	B96	4JVG,1KV2,6GTT,5N66,4TWN,3NPC,3FZS	156422	46513934		CHEMBL103667	DB03044	5668		ZINC24044436	1	HHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES	2G2F,2G2H,2G2I,2HYY,2HZ4,4WA9,5HU9,8H7F,8H7H	Tyrosine-protein kinase ABL1	ABL1_HUMAN	P00519	A3KFJ3 Q13869 Q13870 Q16133 Q17R61 Q45F09						
24231	CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1	InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	GCIKSSRWRFVXBI-UHFFFAOYSA-N	13534	CHEMBL572878::N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide::N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide::VX-680::VX680::cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide	Tyrosine-protein kinase ABL1 [201-500,H396P]	Homo sapiens			 7						Curated from the literature by BindingDB	10.1073/pnas.0504952102	10.7270/Q29C6VNB	16046538	aid1797044		Carter, TA; Wodicka, LM; Shah, NP; Velasco, AM; Fabian, MA; Treiber, DK; Milanov, ZV; Atteridge, CE; Biggs, WH; Edeen, PT; Floyd, M; Ford, JM; Grotzfeld, RM; Herrgard, S; Insko, DE; Mehta, SA; Patel, HK; Pao, W; Sawyers, CL; Varmus, H; Zarrinkar, PP; Lockhart, DJ	Ambit, Inc.	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13534	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1391&target=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13534&enzyme=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	VX6	2F4J,6GR9,6BRJ,3E5A,4ZOG,4B8M,5WNM,3AMB,4JBQ,4AF3,2XYN	5494449	46513935		CHEMBL572878		5718		ZINC03820040	1	HHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES	2G2F,2G2H,2G2I,2HYY,2HZ4,4WA9,5HU9,8H7F,8H7H	Tyrosine-protein kinase ABL1	ABL1_HUMAN	P00519	A3KFJ3 Q13869 Q13870 Q16133 Q17R61 Q45F09						
24249	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C	InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	WINHZLLDWRZWRT-ATVHPVEESA-N	4814	CHEMBL535::N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide::N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide::SU11248::SUNITINIB::SUNITINIB MALATE::US10464902, Sunitinib::US9163010, Sunitinib::US9914707, SU11248	Tyrosine-protein kinase ABL1 [201-500,H396P]	Homo sapiens			 900						Curated from the literature by BindingDB	10.1073/pnas.0504952102	10.7270/Q29C6VNB	16046538	aid1797044		Carter, TA; Wodicka, LM; Shah, NP; Velasco, AM; Fabian, MA; Treiber, DK; Milanov, ZV; Atteridge, CE; Biggs, WH; Edeen, PT; Floyd, M; Ford, JM; Grotzfeld, RM; Herrgard, S; Insko, DE; Mehta, SA; Patel, HK; Pao, W; Sawyers, CL; Varmus, H; Zarrinkar, PP; Lockhart, DJ	Ambit, Inc.	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4814	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1391&target=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=4814&enzyme=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	B49	6NG0,4KS8,3G0F,3G0E,2Y7J,6JOK,6M11,3MIY,3TI1,4QMZ,6V0X,6NFZ,6NFY,4AGD	5329102	8034462	38940	CHEMBL535	DB01268	5713		ZINC03964325	1	HHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES	2G2F,2G2H,2G2I,2HYY,2HZ4,4WA9,5HU9,8H7F,8H7H	Tyrosine-protein kinase ABL1	ABL1_HUMAN	P00519	A3KFJ3 Q13869 Q13870 Q16133 Q17R61 Q45F09						
24255	COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1	InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)	UXXQOJXBIDBUAC-UHFFFAOYSA-N	13535	4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide::4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide::4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide::4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide::CHEMBL124660::MLN-518::MLN518::N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide::cid_3038522	Tyrosine-protein kinase ABL1 [201-500,H396P]	Homo sapiens			>10000						Curated from the literature by BindingDB	10.1073/pnas.0504952102	10.7270/Q29C6VNB	16046538	aid1797044		Carter, TA; Wodicka, LM; Shah, NP; Velasco, AM; Fabian, MA; Treiber, DK; Milanov, ZV; Atteridge, CE; Biggs, WH; Edeen, PT; Floyd, M; Ford, JM; Grotzfeld, RM; Herrgard, S; Insko, DE; Mehta, SA; Patel, HK; Pao, W; Sawyers, CL; Varmus, H; Zarrinkar, PP; Lockhart, DJ	Ambit, Inc.	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13535	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1391&target=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13535&enzyme=Tyrosine-protein+kinase+ABL1+%5B201-500%2CH396P%5D&column=ki&startPg=0&Increment=50&submit=Search			3038522	46513936		CHEMBL124660	DB05465			ZINC03966243	1	HHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAPAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQES	2G2F,2G2H,2G2I,2HYY,2HZ4,4WA9,5HU9,8H7F,8H7H	Tyrosine-protein kinase ABL1	ABL1_HUMAN	P00519	A3KFJ3 Q13869 Q13870 Q16133 Q17R61 Q45F09