Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'st denis' and Initial = 'y'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50413891 (VESTIPITANT) Show SMILES C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415267 (CHEMBL589371) Show SMILES CN(C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)C1(CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F7N3O/c1-14-9-18(25)3-4-19(14)20-13-32-7-8-34(20)21(35)33(2)22(5-6-22)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20,32H,5-8,13H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417500 (CHEMBL1287877) Show SMILES CCN(Cc1nc(C)no1)c1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(18.29,-22.05,;16.95,-21.3,;15.64,-22.08,;14.29,-21.33,;13.03,-22.21,;11.57,-21.7,;10.65,-22.92,;9.11,-22.88,;11.52,-24.19,;13,-23.75,;15.65,-23.62,;14.32,-24.41,;14.34,-25.95,;13.02,-26.74,;15.69,-26.7,;17.01,-25.91,;18.48,-26.37,;19.37,-25.12,;20.91,-25.1,;18.45,-23.89,;17,-24.38,;19.19,-27.74,;18.37,-29.04,;19.07,-30.39,;20.61,-30.47,;21.31,-31.83,;22.86,-31.91,;21.44,-29.18,;20.73,-27.81,;21.56,-26.51,)| Show InChI InChI=1S/C22H26N6O2/c1-7-27(12-19-24-16(5)26-30-19)20-11-14(3)23-22-21(15(4)25-28(20)22)18-9-8-17(29-6)10-13(18)2/h8-11H,7,12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417503 (GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT) Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wD:2.2,(20.63,-20.94,;21.95,-21.72,;21.94,-23.26,;23.27,-24.04,;23.25,-25.58,;21.89,-26.34,;21.88,-27.88,;20.54,-28.64,;23.21,-28.66,;24.55,-27.91,;26,-28.4,;26.93,-27.17,;28.47,-27.19,;26.03,-25.91,;24.57,-26.37,;26.72,-29.77,;25.89,-31.07,;26.59,-32.42,;28.13,-32.5,;28.83,-33.87,;30.37,-33.94,;28.96,-31.21,;28.25,-29.84,;29.08,-28.54,;20.69,-24.16,;19.23,-23.68,;18.32,-24.9,;16.78,-24.89,;19.22,-26.16,;20.69,-25.7,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417501 (CHEMBL1287904) Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |(-2.06,-31.7,;-3.39,-32.46,;-3.39,-34,;-2.06,-34.77,;-2.07,-36.31,;-3.41,-37.08,;-3.41,-38.62,;-4.75,-39.39,;-2.08,-39.39,;-.75,-38.62,;.72,-39.1,;1.63,-37.87,;3.17,-37.87,;.72,-36.62,;-.74,-37.08,;1.47,-40.45,;.69,-41.78,;1.43,-43.1,;2.97,-43.13,;3.72,-44.47,;5.27,-44.5,;3.76,-41.82,;3.01,-40.46,;3.8,-39.14,;-4.65,-34.89,;-6.11,-34.39,;-7.02,-35.61,;-8.56,-35.59,;-6.14,-36.88,;-4.66,-36.43,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417502 (CHEMBL1287905) Show SMILES CC[C@@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wU:2.2,(12.72,-33.43,;14.06,-34.18,;14.08,-35.71,;15.43,-36.46,;15.45,-38.01,;14.11,-38.8,;14.13,-40.34,;12.81,-41.13,;15.48,-41.08,;16.8,-40.3,;18.27,-40.76,;19.16,-39.51,;20.7,-39.48,;18.24,-38.27,;16.79,-38.76,;19.05,-42.09,;18.28,-43.43,;19.04,-44.74,;20.58,-44.75,;21.35,-46.08,;22.9,-46.08,;21.35,-43.42,;20.58,-42.08,;21.35,-40.75,;12.85,-36.64,;11.38,-36.18,;10.5,-37.42,;8.96,-37.45,;11.41,-38.66,;12.88,-38.18,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415264 (CHEMBL591074) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCC=CC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:21| Show InChI InChI=1S/C25H24F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h2,4-6,10-13,21-22,33H,3,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415264 (CHEMBL591074) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCC=CC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:21| Show InChI InChI=1S/C25H24F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h2,4-6,10-13,21-22,33H,3,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417512 (CHEMBL1287878) Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)c4nc(C)no4)cc(C)nc23)c(C)c1 |(24.98,-32.53,;23.44,-32.51,;22.69,-31.16,;21.15,-31.13,;20.4,-29.81,;21.19,-28.48,;20.43,-27.14,;21.39,-25.94,;22.92,-25.99,;20.53,-24.65,;19.05,-25.07,;17.75,-24.25,;17.81,-22.71,;16.5,-21.89,;16.55,-20.36,;15.25,-22.79,;13.79,-22.31,;12.88,-23.53,;11.34,-23.53,;13.77,-24.79,;15.25,-24.33,;16.37,-24.97,;16.32,-26.51,;14.96,-27.23,;17.63,-27.33,;18.99,-26.61,;22.73,-28.5,;23.51,-27.18,;23.48,-29.85,)| Show InChI InChI=1S/C21H24N6O2/c1-11-9-16(28-6)7-8-17(11)19-13(3)25-27-18(10-12(2)22-20(19)27)23-14(4)21-24-15(5)26-29-21/h7-10,14,23H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415265 (CHEMBL591075) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h5-6,10-13,21-22,33H,2-4,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415265 (CHEMBL591075) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H26F7N3O/c1-15-10-19(26)5-6-20(15)22-14-33-7-9-35(22)23(36)34-8-3-2-4-21(34)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h5-6,10-13,21-22,33H,2-4,7-9,14H2,1H3/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417506 (CHEMBL1287966) Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C)no4)cc(C)nc23)c(C)c1 |(23.42,-39.36,;21.87,-39.32,;21.13,-37.97,;19.59,-37.92,;18.86,-36.59,;19.65,-35.27,;18.91,-33.92,;19.83,-32.69,;21.37,-32.69,;18.93,-31.43,;17.46,-31.89,;16.13,-31.12,;16.14,-29.57,;14.82,-28.8,;14.83,-27.26,;13.49,-29.55,;12.28,-28.6,;10.8,-29.02,;9.95,-27.74,;8.42,-27.68,;10.9,-26.54,;12.34,-27.07,;14.78,-31.88,;14.78,-33.42,;13.44,-34.19,;16.11,-34.2,;17.45,-33.43,;21.19,-35.3,;21.99,-33.98,;21.94,-36.66,)| Show InChI InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)26-28-19(10-13(2)24-22(21)28)23-14(3)11-20-25-16(5)27-30-20/h7-10,14,23H,11H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417504 (CHEMBL1287936) Show SMILES COc1ccc(-c2c(C)nn3c(NC4(CC4)c4nc(C)no4)cc(C)nc23)c(C)c1 |(27.22,-34.82,;25.68,-34.81,;24.91,-33.47,;23.37,-33.46,;22.62,-32.15,;23.39,-30.81,;22.62,-29.48,;23.52,-28.23,;25.06,-28.22,;22.6,-26.99,;21.15,-27.47,;19.81,-26.71,;19.8,-25.17,;18.45,-24.41,;17.68,-23.07,;19.22,-23.07,;17.21,-25.32,;15.75,-24.84,;14.85,-26.06,;13.31,-26.06,;15.74,-27.32,;17.22,-26.86,;18.47,-27.49,;18.49,-29.03,;17.16,-29.81,;19.83,-29.79,;21.15,-29.01,;24.92,-30.81,;25.7,-29.48,;25.69,-32.16,)| Show InChI InChI=1S/C22H24N6O2/c1-12-10-16(29-5)6-7-17(12)19-14(3)26-28-18(11-13(2)23-20(19)28)25-22(8-9-22)21-24-15(4)27-30-21/h6-7,10-11,25H,8-9H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415262 (CHEMBL589130) Show SMILES Cc1cc(F)ccc1C1CNCC2CN(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)N12 Show InChI InChI=1S/C22H20F7N3O/c1-12-4-16(23)2-3-18(12)19-9-30-8-17-11-31(20(33)32(17)19)10-13-5-14(21(24,25)26)7-15(6-13)22(27,28)29/h2-7,17,19,30H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417511 (CHEMBL1288058) Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1OC)c1nc(C)no1 |(13.38,-27.25,;14.71,-28.02,;14.71,-29.55,;16.04,-30.32,;16.04,-31.86,;14.7,-32.64,;14.7,-34.18,;13.37,-34.95,;16.04,-34.94,;17.37,-34.18,;18.83,-34.66,;19.74,-33.41,;21.28,-33.41,;18.83,-32.16,;17.37,-32.64,;19.55,-36.02,;18.73,-37.32,;19.45,-38.68,;20.99,-38.74,;21.72,-40.1,;20.9,-41.41,;21.81,-37.42,;21.09,-36.06,;21.9,-34.75,;23.43,-34.8,;13.46,-30.44,;12.01,-29.95,;11.09,-31.18,;9.56,-31.16,;11.98,-32.43,;13.44,-31.98,)| Show InChI InChI=1S/C22H26N6O3/c1-7-17(22-24-14(4)27-31-22)25-19-10-12(2)23-21-20(13(3)26-28(19)21)16-9-8-15(29-5)11-18(16)30-6/h8-11,17,25H,7H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417510 (CHEMBL1288027) Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C)c1nc(C)no1 |(16.27,-27.55,;17.6,-28.32,;17.6,-29.86,;18.94,-30.63,;18.94,-32.17,;17.6,-32.95,;17.6,-34.5,;16.27,-35.27,;18.94,-35.26,;20.27,-34.5,;21.74,-34.98,;22.65,-33.73,;24.19,-33.73,;21.74,-32.48,;20.27,-32.95,;22.5,-36.33,;21.7,-37.64,;22.46,-38.99,;24,-39.01,;24.79,-37.67,;24.03,-36.33,;24.81,-35.01,;24.76,-40.35,;23.9,-41.64,;26.29,-40.45,;16.34,-30.74,;14.89,-30.24,;13.96,-31.46,;12.42,-31.42,;14.83,-32.73,;16.31,-32.29,)| Show InChI InChI=1S/C22H28N8O/c1-8-17(22-25-15(5)28-31-22)26-19-10-13(3)24-21-20(14(4)27-30(19)21)16-11-23-18(29(6)7)9-12(16)2/h9-11,17,26H,8H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417505 (CHEMBL1287965) Show SMILES COc1ccc(-c2c(C)nn3c(NC4(CCC4)c4nc(C)no4)cc(C)nc23)c(C)c1 |(23.57,-41.97,;22.03,-41.99,;21.24,-40.66,;19.7,-40.67,;18.92,-39.37,;19.67,-38.02,;18.88,-36.7,;19.78,-35.46,;21.32,-35.45,;18.87,-34.21,;17.42,-34.69,;16.08,-33.93,;16.08,-32.38,;14.74,-31.62,;13.68,-30.52,;14.78,-29.45,;15.84,-30.55,;13.51,-32.56,;12.04,-32.11,;11.17,-33.36,;9.63,-33.4,;12.09,-34.59,;13.55,-34.1,;14.74,-34.7,;14.75,-36.24,;13.42,-37.02,;16.09,-37,;17.42,-36.23,;21.21,-38,;21.96,-36.65,;22,-39.33,)| Show InChI InChI=1S/C23H26N6O2/c1-13-11-17(30-5)7-8-18(13)20-15(3)27-29-19(12-14(2)24-21(20)29)26-23(9-6-10-23)22-25-16(4)28-31-22/h7-8,11-12,26H,6,9-10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415263 (CHEMBL590833) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F7N3O/c1-14-9-18(25)4-5-19(14)21-13-32-6-8-34(21)22(35)33-7-2-3-20(33)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h4-5,9-12,20-21,32H,2-3,6-8,13H2,1H3/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417499 (CHEMBL1287848) Show SMILES COc1ccc(-c2c(C)nn3c(NCc4nc(C)no4)cc(C)nc23)c(C)c1 |(6.38,-31.64,;4.84,-31.6,;4.1,-30.25,;2.56,-30.2,;1.84,-28.87,;2.63,-27.55,;1.89,-26.2,;2.79,-24.96,;4.33,-24.95,;1.88,-23.72,;.43,-24.19,;-.91,-23.43,;-.91,-21.89,;-2.31,-21.25,;-3.57,-22.14,;-5.03,-21.65,;-5.94,-22.86,;-7.48,-22.84,;-5.06,-24.13,;-3.58,-23.68,;-2.25,-24.2,;-2.24,-25.75,;-3.57,-26.52,;-.9,-26.5,;.43,-25.73,;4.17,-27.59,;4.97,-26.27,;4.91,-28.95,)| Show InChI InChI=1S/C20H22N6O2/c1-11-8-15(27-5)6-7-16(11)19-13(3)24-26-17(9-12(2)22-20(19)26)21-10-18-23-14(4)25-28-18/h6-9,21H,10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415263 (CHEMBL590833) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H24F7N3O/c1-14-9-18(25)4-5-19(14)21-13-32-6-8-34(21)22(35)33-7-2-3-20(33)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h4-5,9-12,20-21,32H,2-3,6-8,13H2,1H3/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417509 (CHEMBL1288026) Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)Cc4noc(C)n4)cc(C)nc23)c(C)c1 |(24.48,-40.44,;22.94,-40.39,;22.2,-39.04,;20.66,-39,;19.93,-37.66,;20.73,-36.34,;19.99,-34.99,;20.87,-33.74,;22.41,-33.71,;19.94,-32.51,;18.49,-33,;17.15,-32.26,;17.12,-30.72,;15.77,-29.97,;15.72,-28.44,;14.41,-30.69,;13.19,-29.76,;13.22,-28.24,;11.77,-27.73,;10.84,-28.95,;9.31,-28.92,;11.72,-30.21,;15.81,-33.06,;15.85,-34.6,;14.53,-35.39,;17.2,-35.34,;18.52,-34.54,;22.27,-36.38,;23.07,-35.06,;23,-37.74,)| Show InChI InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)26-28-20(11-14(3)24-22(21)28)23-13(2)10-19-25-16(5)30-27-19/h7-9,11,13,23H,10H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415266 (CHEMBL591076) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCNC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H25F7N4O/c1-14-9-18(25)3-4-19(14)20-13-32-6-8-34(20)22(36)35-7-2-5-33-21(35)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20-21,32-33H,2,5-8,13H2,1H3/t20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417507 (CHEMBL1287996) Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nnc(C)o1 |(13.26,-29.56,;14.57,-30.33,;14.57,-31.87,;15.9,-32.65,;15.88,-34.19,;14.52,-34.95,;14.51,-36.49,;13.17,-37.25,;15.84,-37.27,;17.18,-36.52,;18.64,-37.01,;19.56,-35.78,;21.1,-35.8,;18.67,-34.52,;17.2,-34.98,;19.41,-38.34,;18.64,-39.68,;19.4,-41,;20.94,-41.01,;21.71,-42.34,;23.26,-42.35,;21.72,-39.69,;20.95,-38.34,;21.72,-37.01,;13.33,-32.79,;13.35,-34.33,;11.88,-34.8,;10.97,-33.56,;9.43,-33.57,;11.86,-32.32,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-26-25-15(5)30-22)24-19-11-13(3)23-21-20(14(4)27-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,24H,7H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50415266 (CHEMBL591076) Show SMILES Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCNC1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H25F7N4O/c1-14-9-18(25)3-4-19(14)20-13-32-6-8-34(20)22(36)35-7-2-5-33-21(35)15-10-16(23(26,27)28)12-17(11-15)24(29,30)31/h3-4,9-12,20-21,32-33H,2,5-8,13H2,1H3/t20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 623-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.078 BindingDB Entry DOI: 10.7270/Q2H1338K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417508 (CHEMBL1287997) Show SMILES COc1ccc(-c2c(C)nn3c(NC(C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1 |(24.76,-42.57,;23.22,-42.6,;22.42,-41.28,;20.88,-41.31,;20.09,-40.02,;20.82,-38.66,;20.02,-37.34,;20.93,-36.11,;22.47,-36.11,;20.03,-34.86,;18.57,-35.32,;17.24,-34.55,;17.25,-33.01,;15.92,-32.23,;15.9,-30.7,;14.58,-33,;13.35,-32.08,;13.37,-30.55,;11.91,-30.06,;11,-31.29,;9.46,-31.27,;11.88,-32.54,;15.89,-35.31,;15.89,-36.86,;14.55,-37.62,;17.22,-37.63,;18.56,-36.86,;22.36,-38.62,;23.1,-37.27,;23.16,-39.95,)| Show InChI InChI=1S/C22H26N6O2/c1-12-9-17(29-6)7-8-18(12)21-15(4)27-28-19(10-13(2)24-22(21)28)23-14(3)11-20-26-25-16(5)30-20/h7-10,14,23H,11H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417503 (GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT) Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wD:2.2,(20.63,-20.94,;21.95,-21.72,;21.94,-23.26,;23.27,-24.04,;23.25,-25.58,;21.89,-26.34,;21.88,-27.88,;20.54,-28.64,;23.21,-28.66,;24.55,-27.91,;26,-28.4,;26.93,-27.17,;28.47,-27.19,;26.03,-25.91,;24.57,-26.37,;26.72,-29.77,;25.89,-31.07,;26.59,-32.42,;28.13,-32.5,;28.83,-33.87,;30.37,-33.94,;28.96,-31.21,;28.25,-29.84,;29.08,-28.54,;20.69,-24.16,;19.23,-23.68,;18.32,-24.9,;16.78,-24.89,;19.22,-26.16,;20.69,-25.7,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50417502 (CHEMBL1287905) Show SMILES CC[C@@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wU:2.2,(12.72,-33.43,;14.06,-34.18,;14.08,-35.71,;15.43,-36.46,;15.45,-38.01,;14.11,-38.8,;14.13,-40.34,;12.81,-41.13,;15.48,-41.08,;16.8,-40.3,;18.27,-40.76,;19.16,-39.51,;20.7,-39.48,;18.24,-38.27,;16.79,-38.76,;19.05,-42.09,;18.28,-43.43,;19.04,-44.74,;20.58,-44.75,;21.35,-46.08,;22.9,-46.08,;21.35,-43.42,;20.58,-42.08,;21.35,-40.75,;12.85,-36.64,;11.38,-36.18,;10.5,-37.42,;8.96,-37.45,;11.41,-38.66,;12.88,-38.18,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CRF1 receptor				Bioorg Med Chem Lett 20: 7259-64 (2010) Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V
					More data for this Ligand-Target Pair