Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'carbone' and Initial = 'a'   

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 kinase ABL1 (Homo sapiens (Human))	BDBM50615340 (CHEMBL5282076) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCCN4CCCC4)cc3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615347 (CHEMBL5277744) Show SMILES CN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615348 (CHEMBL5270516) Show SMILES CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615343 (CHEMBL5282277) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221562 (4-(7-(2-bromo-5-hydroxyphenyl)-5-methylbenzo[e][1,...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Br Show InChI InChI=1S/C26H27BrN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615347 (CHEMBL5277744) Show SMILES CN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221549 (4-(7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methylb...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1F Show InChI InChI=1S/C26H26ClFN6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615339 (CHEMBL5282737) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615352 (CHEMBL5266023) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)CCCN3CCCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615342 (CHEMBL5286051) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615341 (CHEMBL5269803) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615349 (CHEMBL5272285) Show SMILES CC(C)N(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615346 (CHEMBL5280331) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615346 (CHEMBL5280331) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221550 (4-(7-(2,6-difluoro-3-hydroxyphenyl)-5-methylbenzo[...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(F)ccc(O)c1F Show InChI InChI=1S/C26H26F2N6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615353 (CHEMBL5274378) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)C3CCNCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615354 (CHEMBL5270142) Show SMILES CCN(CC)CCN1CCC(CC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615344 (CHEMBL5267335) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615351 (CHEMBL5286481) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615353 (CHEMBL5274378) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)C3CCNCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50198826 (4-(7-(2-chloro-6-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(O)cccc1Cl Show InChI InChI=1S/C26H27ClN6O3S/c1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33/h4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615350 (CHEMBL5275366) Show SMILES CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615345 (CHEMBL5285787) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50193874 (7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...) Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1 Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615342 (CHEMBL5286051) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCNCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50198786 (4-(7-(5-amino-2-chlorophenyl)-5-methylbenzo[e][1,2...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(N)ccc1Cl Show InChI InChI=1S/C26H28ClN7O2S/c1-17-14-18(22-16-19(28)4-9-23(22)27)15-24-25(17)31-26(33-32-24)30-20-5-7-21(8-6-20)37(35,36)29-10-13-34-11-2-3-12-34/h4-9,14-16,29H,2-3,10-13,28H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615352 (CHEMBL5266023) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)CCCN3CCCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50198782 (([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615343 (CHEMBL5282277) Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221548 (4-(7-(1H-indol-4-yl)-5-methylbenzo[e][1,2,4]triazi...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C28H29N7O2S/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615340 (CHEMBL5282076) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCCN4CCCC4)cc3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221546 (4-(7-(2,6-dichloro-3-hydroxyphenyl)-5-methylbenzo[...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1Cl Show InChI InChI=1S/C26H26Cl2N6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615341 (CHEMBL5269803) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221546 (4-(7-(2,6-dichloro-3-hydroxyphenyl)-5-methylbenzo[...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1Cl Show InChI InChI=1S/C26H26Cl2N6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221550 (4-(7-(2,6-difluoro-3-hydroxyphenyl)-5-methylbenzo[...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(F)ccc(O)c1F Show InChI InChI=1S/C26H26F2N6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615339 (CHEMBL5282737) Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615348 (CHEMBL5270516) Show SMILES CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221562 (4-(7-(2-bromo-5-hydroxyphenyl)-5-methylbenzo[e][1,...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Br Show InChI InChI=1S/C26H27BrN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615351 (CHEMBL5286481) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615350 (CHEMBL5275366) Show SMILES CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615354 (CHEMBL5270142) Show SMILES CCN(CC)CCN1CCC(CC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H4 receptor (Homo sapiens (Human))	BDBM50021529 (CHEMBL3290578) Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Palermo Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H4R expressed in Sf9 cell membranes co-expressed with G protein Gai2 and Gb1gamma2 incubated for 60 mins by ...				Eur J Med Chem 142: 523-549 (2017) Article DOI: 10.1016/j.ejmech.2017.09.035 BindingDB Entry DOI: 10.7270/Q2HH6NRF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221549 (4-(7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methylb...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1F Show InChI InChI=1S/C26H26ClFN6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615345 (CHEMBL5285787) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		687	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615344 (CHEMBL5267335) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)nc12)-c1cc(Cl)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50615349 (CHEMBL5272285) Show SMILES CC(C)N(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(Cl)ccc2O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		956	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50198826 (4-(7-(2-chloro-6-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(O)cccc1Cl Show InChI InChI=1S/C26H27ClN6O3S/c1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33/h4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50221548 (4-(7-(1H-indol-4-yl)-5-methylbenzo[e][1,2,4]triazi...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C28H29N7O2S/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50021557 (CHEMBL3290582) Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C15H17N7/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)12-4-2-11(10-16)3-5-12/h2-5H,6-9H2,1H3,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Palermo Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human H4R expressed in Sf9 cell membranes co-expressed with G protein Gai2 and Gb1gamma2 incubated for 60 mins by ...				Eur J Med Chem 142: 523-549 (2017) Article DOI: 10.1016/j.ejmech.2017.09.035 BindingDB Entry DOI: 10.7270/Q2HH6NRF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50198786 (4-(7-(5-amino-2-chlorophenyl)-5-methylbenzo[e][1,2...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(N)ccc1Cl Show InChI InChI=1S/C26H28ClN7O2S/c1-17-14-18(22-16-19(28)4-9-23(22)27)15-24-25(17)31-26(33-32-24)30-20-5-7-21(8-6-20)37(35,36)29-10-13-34-11-2-3-12-34/h4-9,14-16,29H,2-3,10-13,28H2,1H3,(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		>2.50E+3	n/a	n/a	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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