Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50006772   

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))	BDBM50503234 (CHEMBL4575703) Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H16Cl2N6O2/c23-15-10-16(24)14(9-13(15)17-7-4-8-19(25)27-17)22(32)28-20-11-18(21(26)31)29-30(20)12-5-2-1-3-6-12/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at unphosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mi...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503233 (CHEMBL4465781) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H22Cl2FN5O3/c1-26(2,37)14-31-25(36)21-13-22(34(33-21)15-7-4-3-5-8-15)32-24(35)17-11-16(18(27)12-19(17)28)23-20(29)9-6-10-30-23/h3-13,37H,14H2,1-2H3,(H,31,36)(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226350 (US9328096, 43) Show SMILES OCCNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 Show InChI InChI=1S/C24H18Cl2FN5O3/c25-17-12-18(26)16(11-15(17)22-19(27)7-4-8-28-22)23(34)30-21-13-20(24(35)29-9-10-33)31-32(21)14-5-2-1-3-6-14/h1-8,11-13,33H,9-10H2,(H,29,35)(H,30,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Rattus norvegicus)	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at unphosphorylated rat TrkA expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin ...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226502 (US9328096, 195) Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1cc(nn1-c1ccccc1)C(=O)NC1COC1)-c1ccccn1 Show InChI InChI=1S/C25H19Cl2N5O3/c26-19-11-20(27)18(10-17(19)21-8-4-5-9-28-21)24(33)30-23-12-22(25(34)29-15-13-35-14-15)31-32(23)16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,29,34)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226375 (US9328096, 68) Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(F)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H14ClF2N5O2/c23-15-10-17(25)14(20-16(24)7-4-8-27-20)9-13(15)22(32)28-19-11-18(21(26)31)29-30(19)12-5-2-1-3-6-12/h1-11H,(H2,26,31)(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226366 (US9328096, 59) Show SMILES OCCNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C24H19Cl2N5O3/c25-18-13-19(26)17(12-16(18)20-8-4-5-9-27-20)23(33)29-22-14-21(24(34)28-10-11-32)30-31(22)15-6-2-1-3-7-15/h1-9,12-14,32H,10-11H2,(H,28,34)(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226362 (US9328096, 55) Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H15Cl2N5O2/c23-16-11-17(24)15(10-14(16)18-8-4-5-9-26-18)22(31)27-20-12-19(21(25)30)28-29(20)13-6-2-1-3-7-13/h1-12H,(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503235 (CHEMBL4550037) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2nc(N)ccc2Cl)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H16Cl2N6O2/c23-15-7-6-12(20-16(24)8-9-18(25)27-20)10-14(15)22(32)28-19-11-17(21(26)31)29-30(19)13-4-2-1-3-5-13/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226348 (US9328096, 41) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(F)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H22ClF2N5O3/c1-26(2,37)14-31-25(36)21-13-22(34(33-21)15-7-4-3-5-8-15)32-24(35)16-11-17(20(29)12-18(16)27)23-19(28)9-6-10-30-23/h3-13,37H,14H2,1-2H3,(H,31,36)(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503231 (CHEMBL4460719) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at unphosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mi...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226447 (US9328096, 140) Show SMILES OCCNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(cc2Cl)C(F)(F)F)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H19ClF3N5O3/c26-19-13-18(25(27,28)29)16(20-8-4-5-9-30-20)12-17(19)23(36)32-22-14-21(24(37)31-10-11-35)33-34(22)15-6-2-1-3-7-15/h1-9,12-14,35H,10-11H2,(H,31,37)(H,32,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226358 (US9328096, 51) Show SMILES NCCNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C24H20Cl2N6O2/c25-18-13-19(26)17(12-16(18)20-8-4-5-10-28-20)23(33)30-22-14-21(24(34)29-11-9-27)31-32(22)15-6-2-1-3-7-15/h1-8,10,12-14H,9,11,27H2,(H,29,34)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226379 (US9328096, 72) Show SMILES CC(=O)Nc1cccc(n1)-c1ccc(Cl)c(c1)C(=O)Nc1cc(nn1-c1ccccc1)C(N)=O Show InChI InChI=1S/C24H19ClN6O3/c1-14(32)27-21-9-5-8-19(28-21)15-10-11-18(25)17(12-15)24(34)29-22-13-20(23(26)33)30-31(22)16-6-3-2-4-7-16/h2-13H,1H3,(H2,26,33)(H,29,34)(H,27,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226388 (US9328096, 81) Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(F)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H15ClFN5O2/c23-16-11-17(24)15(18-8-4-5-9-26-18)10-14(16)22(31)27-20-12-19(21(25)30)28-29(20)13-6-2-1-3-7-13/h1-12H,(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226387 (US9328096, 80) Show SMILES Cc1cc(Cl)c(cc1-c1ccccn1)C(=O)Nc1cc(nn1-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H18ClN5O2/c1-14-11-18(24)17(12-16(14)19-9-5-6-10-26-19)23(31)27-21-13-20(22(25)30)28-29(21)15-7-3-2-4-8-15/h2-13H,1H3,(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503231 (CHEMBL4460719) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Rattus norvegicus)	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at TrkA in rat DRG assessed as inhibition of NGF-induced ERK phosphorylation preincubated for 60 mins followed by NGF addition an...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226377 (US9328096, 70) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H15ClFN5O2/c23-16-9-8-13(20-17(24)7-4-10-26-20)11-15(16)22(31)27-19-12-18(21(25)30)28-29(19)14-5-2-1-3-6-14/h1-12H,(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at phosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mins...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226493 (US9328096, 186) Show SMILES NC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(cc2Cl)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN5O2/c26-20-13-17(15-9-10-15)18(21-8-4-5-11-28-21)12-19(20)25(33)29-23-14-22(24(27)32)30-31(23)16-6-2-1-3-7-16/h1-8,11-15H,9-10H2,(H2,27,32)(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503230 (CHEMBL4469411) Show SMILES CN(C)C(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C24H20ClN5O2/c1-29(2)24(32)21-15-22(30(28-21)17-8-4-3-5-9-17)27-23(31)18-14-16(11-12-19(18)25)20-10-6-7-13-26-20/h3-15H,1-2H3,(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226380 (US9328096, 73) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2ncccc2Cl)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H15Cl2N5O2/c23-16-9-8-13(20-17(24)7-4-10-26-20)11-15(16)22(31)27-19-12-18(21(25)30)28-29(19)14-5-2-1-3-6-14/h1-12H,(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226389 (US9328096, 82) Show SMILES COc1cc(Cl)c(cc1-c1ccccn1)C(=O)Nc1cc(nn1-c1ccccc1)C(N)=O Show InChI InChI=1S/C23H18ClN5O3/c1-32-20-12-17(24)15(11-16(20)18-9-5-6-10-26-18)23(31)27-21-13-19(22(25)30)28-29(21)14-7-3-2-4-8-14/h2-13H,1H3,(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503231 (CHEMBL4460719) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at phosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mins...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226492 (US9328096, 185) Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(OC(F)F)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C23H16ClF2N5O3/c24-16-11-19(34-23(25)26)15(17-8-4-5-9-28-17)10-14(16)22(33)29-20-12-18(21(27)32)30-31(20)13-6-2-1-3-7-13/h1-12,23H,(H2,27,32)(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226363 (US9328096, 56) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(n2)C(F)F)n(n1)-c1ccccc1 Show InChI InChI=1S/C23H16ClF2N5O2/c24-16-10-9-13(17-7-4-8-18(28-17)21(25)26)11-15(16)23(33)29-20-12-19(22(27)32)30-31(20)14-5-2-1-3-6-14/h1-12,21H,(H2,27,32)(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503232 (CHEMBL1896117) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)-c1ccccc1 Show InChI InChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50503231 (CHEMBL4460719) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkC (unknown origin) expressed in cells assessed as inhibition of NT3-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50503231 (CHEMBL4460719) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkB (unknown origin) expressed in cells assessed as inhibition of BDNF-induced receptor phosphorylation by mea...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50503232 (CHEMBL1896117) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)-c1ccccc1 Show InChI InChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkC (unknown origin) expressed in cells assessed as inhibition of NT3-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226383 (US9328096, 76) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(n2)C(N)=O)n(n1)-c1ccccc1 Show InChI InChI=1S/C23H17ClN6O3/c24-16-10-9-13(17-7-4-8-18(27-17)21(25)31)11-15(16)23(33)28-20-12-19(22(26)32)29-30(20)14-5-2-1-3-6-14/h1-12H,(H2,25,31)(H2,26,32)(H,28,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50503232 (CHEMBL1896117) Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)-c1ccccc1 Show InChI InChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkB (unknown origin) expressed in cells assessed as inhibition of BDNF-induced receptor phosphorylation by mea...				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50503231 (CHEMBL4460719) Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1 Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to C-terminal-His6/N-terminal BAP-tagged unphosphorylated TrkA (unknown origin) (441 to 796 residues) by SPR analysis				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM226354 (US9328096, 47) Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1 Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to C-terminal-His6/N-terminal BAP-tagged unphosphorylated TrkA (unknown origin) (441 to 796 residues) by SPR analysis				J Med Chem 62: 247-265 (2019) Article DOI: 10.1021/acs.jmedchem.8b00280 BindingDB Entry DOI: 10.7270/Q2QR51CZ
					More data for this Ligand-Target Pair				3D Structure (crystal)