Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 8645   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM158154 (US10081622, Compound 11 | US10370379, Entrectinib ...) Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50396243 (CHEMBL2172308 | US10370379, Compound TSR-011) Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)| Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410185 (US10370379, Compound 2 | US11059827, Compound 2) Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H12F3N5/c18-11-1-2-14(20)13(5-11)15-6-12(19)9-24(15)16-3-4-25-17(23-16)10(7-21)8-22-25/h1-5,8,12,15H,6,9H2/t12-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410184 (5-((2R,4S)-4-fluoro-2-(5-fluoropyridin-3-yl)pyrrol...) Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cncc(F)c1 |r| Show InChI InChI=1S/C16H12F2N6/c17-12-3-10(6-20-8-12)14-4-13(18)9-23(14)15-1-2-24-16(22-15)11(5-19)7-21-24/h1-3,6-8,13-14H,4,9H2/t13-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410193 (US10370379, Compound 10 | US11059827, Compound 10) Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)cnc1Cl |r| Show InChI InChI=1S/C16H11ClF2N6/c17-15-12(3-10(18)7-21-15)13-4-11(19)8-24(13)14-1-2-25-16(23-14)9(5-20)6-22-25/h1-3,6-7,11,13H,4,8H2/t11-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410202 (US10370379, Compound 19 | US11059827, Compound 19) Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)cc(c1)C(=O)NCC1CC1 |r| Show InChI InChI=1S/C22H20F2N6O/c23-17-6-14(5-15(7-17)22(31)26-10-13-1-2-13)19-8-18(24)12-29(19)20-3-4-30-21(28-20)16(9-25)11-27-30/h3-7,11,13,18-19H,1-2,8,10,12H2,(H,26,31)/t18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410200 (US10370379, Compound 17 | US11059827, Compound 17) Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)ccc1OC(F)(F)F |r| Show InChI InChI=1S/C18H12F5N5O/c19-11-1-2-15(29-18(21,22)23)13(5-11)14-6-12(20)9-27(14)16-3-4-28-17(26-16)10(7-24)8-25-28/h1-5,8,12,14H,6,9H2/t12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410199 (US10370379, Compound 16 | US11059827, Compound 16) Show SMILES NS(=O)(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C17H14F2N6O2S/c18-12-3-10(4-14(5-12)28(21,26)27)15-6-13(19)9-24(15)16-1-2-25-17(23-16)11(7-20)8-22-25/h1-5,8,13,15H,6,9H2,(H2,21,26,27)/t13-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410198 (US10370379, Compound 15) Show SMILES NC(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1nc2c(cnn2cc1F)C#N |r| Show InChI InChI=1S/C18H13F3N6O/c19-12-2-9(1-10(3-12)16(23)28)15-4-13(20)7-26(15)18-14(21)8-27-17(25-18)11(5-22)6-24-27/h1-3,6,8,13,15H,4,7H2,(H2,23,28)/t13-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410196 (US10370379, Compound 13 | US11059827, Compound 13) Show SMILES COc1c(F)cc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C18H14F3N5O/c1-27-17-13(4-11(19)5-14(17)21)15-6-12(20)9-25(15)16-2-3-26-18(24-16)10(7-22)8-23-26/h2-5,8,12,15H,6,9H2,1H3/t12-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410195 (US10370379, Compound 12 | US11059827, Compound 12) Show SMILES F[C@H]1C[C@@H](N(C1)c1nc2c(cnn2cc1F)C#N)c1cc(F)cc(c1)C#N |r| Show InChI InChI=1S/C18H11F3N6/c19-13-2-10(5-22)1-11(3-13)16-4-14(20)8-26(16)18-15(21)9-27-17(25-18)12(6-23)7-24-27/h1-3,7,9,14,16H,4,8H2/t14-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410194 (US10370379, Compound 11 | US11059827, Compound 11) Show SMILES NC(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C18H14F2N6O/c19-13-4-10(3-11(5-13)17(22)27)15-6-14(20)9-25(15)16-1-2-26-18(24-16)12(7-21)8-23-26/h1-5,8,14-15H,6,9H2,(H2,22,27)/t14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410187 (6-fluoro-5-((2R,4S)-4-fluoro-2-(5-fluoropyridin-3-...) Show SMILES F[C@H]1C[C@@H](N(C1)c1nc2c(cnn2cc1F)C#N)c1cncc(F)c1 |r| Show InChI InChI=1S/C16H11F3N6/c17-11-1-9(4-21-6-11)14-2-12(18)7-24(14)16-13(19)8-25-15(23-16)10(3-20)5-22-25/h1,4-6,8,12,14H,2,7H2/t12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410189 (5-((2R,4S)-2-(3-cyano-5-fluorophenyl)-4-fluoropyrr...) Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)cc(c1)C#N |r| Show InChI InChI=1S/C18H12F2N6/c19-14-4-11(7-21)3-12(5-14)16-6-15(20)10-25(16)17-1-2-26-18(24-17)13(8-22)9-23-26/h1-5,9,15-16H,6,10H2/t15-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410190 (5-((2R,4S)-4-fluoro-2-(5-fluoro-2-methoxypyridin-3...) Show SMILES COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C17H14F2N6O/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410192 (US10370379, Compound 9 | US11059827, Compound 9) Show SMILES F[C@H]1C[C@@H](N(C1)c1ccn2ncc(C#N)c2n1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C17H12ClF2N5/c18-12-3-10(4-13(19)5-12)15-6-14(20)9-24(15)16-1-2-25-17(23-16)11(7-21)8-22-25/h1-5,8,14-15H,6,9H2/t14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410205 (US10370379, Compound 22 | US11059827, Compound 22) Show SMILES NC(=O)c1ccc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C18H14F2N6O/c19-11-1-2-13(17(22)27)14(5-11)15-6-12(20)9-25(15)16-3-4-26-18(24-16)10(7-21)8-23-26/h1-5,8,12,15H,6,9H2,(H2,22,27)/t12-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410197 (US10370379, Compound 14 | US11059827, Compound 14) Show SMILES CC(C)(O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C20H19F2N5O/c1-20(2,28)14-5-12(6-15(21)7-14)17-8-16(22)11-26(17)18-3-4-27-19(25-18)13(9-23)10-24-27/h3-7,10,16-17,28H,8,11H2,1-2H3/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410191 (5-((2R,4S)-4-fluoro-2-(5-fluoro-1-methyl-2-oxo-1,2...) Show SMILES Cn1cc(F)cc([C@H]2C[C@H](F)CN2c2ccn3ncc(C#N)c3n2)c1=O |r| Show InChI InChI=1S/C17H14F2N6O/c1-23-8-11(18)4-13(17(23)26)14-5-12(19)9-24(14)15-2-3-25-16(22-15)10(6-20)7-21-25/h2-4,7-8,12,14H,5,9H2,1H3/t12-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410203 (US10370379, Compound 20 | US11059827, Compound 20) Show SMILES CNC(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C19H16F2N6O/c1-23-19(28)12-4-11(5-14(20)6-12)16-7-15(21)10-26(16)17-2-3-27-18(25-17)13(8-22)9-24-27/h2-6,9,15-16H,7,10H2,1H3,(H,23,28)/t15-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410204 (US10370379, Compound 21 | US11059827, Compound 21) Show SMILES CN(C)C(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C20H18F2N6O/c1-26(2)20(29)13-5-12(6-15(21)7-13)17-8-16(22)11-27(17)18-3-4-28-19(25-18)14(9-23)10-24-28/h3-7,10,16-17H,8,11H2,1-2H3/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410188 (5-((2R,4S)-4-cyano-2-(2,5-difluorophenyl)pyrrolidi...) Show SMILES Fc1ccc(F)c(c1)[C@H]1C[C@@H](CN1c1ccn2ncc(C#N)c2n1)C#N |r| Show InChI InChI=1S/C18H12F2N6/c19-13-1-2-15(20)14(6-13)16-5-11(7-21)10-25(16)17-3-4-26-18(24-17)12(8-22)9-23-26/h1-4,6,9,11,16H,5,10H2/t11-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410201 (US10370379, Compound 18 | US11059827, Compound 18) Show SMILES OCCNC(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C20H18F2N6O2/c21-15-6-12(5-13(7-15)20(30)24-2-4-29)17-8-16(22)11-27(17)18-1-3-28-19(26-18)14(9-23)10-25-28/h1,3,5-7,10,16-17,29H,2,4,8,11H2,(H,24,30)/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410186 ((R)-5-(4,4-difluoro-2-(5-fluoropyridin-3-yl)pyrrol...) Show SMILES Fc1cncc(c1)[C@H]1CC(F)(F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C16H11F3N6/c17-12-3-10(6-21-8-12)13-4-16(18,19)9-24(13)14-1-2-25-15(23-14)11(5-20)7-22-25/h1-3,6-8,13H,4,9H2/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair