Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'talley' and Initial = 'd'   

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))	BDBM50459091 (ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602606 (US11649218, Example NCGC00508975) Show SMILES O[C@H]1CCN(C1)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |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	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602609 (US11649218, Example NCGC00507975) Show SMILES O[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |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	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602536 (US11649218, Example NCGC00483140) Show SMILES FC(F)(F)Oc1ccc2c(NC(=O)c3cc(ccc3S2(=O)=O)-c2ccnc(c2)N2CCOCC2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602608 (US11649218, Example NCGC00508838) Show SMILES CN(CCO)c1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602612 (US11649218, Example NCGC00508972) Show SMILES CN(CCO)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602611 (US11649218, Example NCGC00532289) Show SMILES O[C@@H]1CCN(C1)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |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	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602537 (US11649218, Example NCGC00481508) Show SMILES OCc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602538 (US11649218, Example NCGC00411866) Show SMILES OCc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602539 (US11649218, Example NCGC00355551) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602540 (US11649218, Example NCGC00481504) Show SMILES FC(F)(F)COc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602541 (US11649218, Example NCGC00482446) Show SMILES FC(F)(F)Oc1ccc2c(NC(=O)c3cc(ccc3S2=O)-c2ccnc(c2)N2CCOCC2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602542 (US11649218, Example NCGC00356665) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593123 (GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593123 (GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602607 (US11649218, Example NCGC00508973) Show SMILES O[C@H]1CCN(C1)c1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 |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	398	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM60981 ((2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-methyl-a...) Show SMILES C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593123 (GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593123 (GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602543 (US11649218, Example NCGC00481503) Show SMILES O=C1Nc2cc(ccc2Oc2ccc(cc12)-c1ccnc(c1)N1CCOCC1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	526	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593123 (GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593123 (GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602544 (US11649218, Example NCGC00355558) Show SMILES FC(F)(F)Oc1ccc2Nc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)C(=O)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	743	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602545 (US11649218, Example NCGC00373056) Show SMILES CNS(=O)(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	833	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602546 (US11649218, Example NCGC00411876) Show SMILES CC(C)(O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	833	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593129 (CHEMBL5186713) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(Cl)cc1 |r,wU:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.94,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602547 (US11649218, Example NCGC00373057) Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602548 (US11649218, Example NCGC00356666) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328152 (CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...) Show SMILES OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars		n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50325999 (3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...) Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB	n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602550 (US11649218, Example NCGC00388536) Show SMILES FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccc(CN2CCOCC2)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602549 (US11649218, Example NCGC00355552) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602553 (US11649218, Example NCGC00411874) Show SMILES FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)-c1ccn[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602551 (US11649218, Example NCGC00373058) Show SMILES FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602552 (US11649218, Example NCGC00409812) Show SMILES FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cnc2ccnn2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602604 (US11649218, Example NCGC00532318) Show SMILES OCCOc1cccc(n1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602554 (US11649218, Example NCGC00482456) Show SMILES FC(F)(F)Oc1ccc2Sc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593130 (CHEMBL5195898) Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(Br)cc1 |r,wU:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.95,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602605 (US11649218, Example NCGC00507969) Show SMILES OCCOc1cc(ccn1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50563339 (CHEMBL4756352) Show SMILES N[C@@H](C(=O)N1CC(CNc2ccc(F)cc2)C2(CN(C2)c2cc(F)cc(F)c2)C1)c1ccc(O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG incubated for 4 hrs by fluorescene microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00034 BindingDB Entry DOI: 10.7270/Q21N84VC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602555 (US11649218, Example NCGC00481507) Show SMILES FC(F)(F)CCOc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1ccnc(c1)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593131 (CHEMBL5207800) Show SMILES Cc1ccc(cc1)-c1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:19.20,(7.83,-3.19,;6.34,-2.79,;5.95,-1.3,;4.46,-.9,;3.37,-1.99,;3.77,-3.48,;5.26,-3.87,;1.88,-1.59,;1.41,-.13,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;-.9,1.21,;-.9,2.75,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (Homo sapiens)	BDBM50593124 (CHEMBL5207416) Show SMILES CC(C)(NC(=O)O[C@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wD:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.94,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01050 BindingDB Entry DOI: 10.7270/Q2SN0DXC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602557 (US11649218, Example NCGC00373064) Show SMILES OCCNS(=O)(=O)c1cccc(c1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602556 (US11649218, Example NCGC00356745) Show SMILES FC(F)(F)Oc1ccc2Oc3ccc(cc3C(=O)Nc2c1)-c1cccc(c1)C(=O)N1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602558 (US11649218, Example NCGC00388557) Show SMILES CC(=O)NCc1ccc(s1)-c1ccc2Oc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50563340 (CHEMBL4743418) Show SMILES Oc1ccc(CN2CC(CNc3ccccc3)C3(CN(C3)c3ccccc3)C2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG incubated for 4 hrs by fluorescene microplate reader assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00034 BindingDB Entry DOI: 10.7270/Q21N84VC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM602559 (US11649218, Example NCGC00355556) Show SMILES OCCNC(=O)c1cccc(c1)-c1ccc2Nc3ccc(OC(F)(F)F)cc3NC(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2RX9H0C
					More data for this Ligand-Target Pair

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