Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'knipe' and Initial = 'j'   

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
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153426 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H29NO2/c1-2-25(27)26-17-19-15-22(19)21-13-8-14-24-23(21)16-20(28-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H,26,27)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153424 (CHEMBL186977 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/c1-2-25(28)26-20-15-16-27(18-20)23-13-8-14-24-22(23)17-21(29-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153426 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H29NO2/c1-2-25(27)26-17-19-15-22(19)21-13-8-14-24-23(21)16-20(28-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H,26,27)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153423 (CHEMBL187186 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CC(C)C(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31NO2/c1-19(2)25(27)26-17-9-14-21-13-8-16-24-23(21)18-22(28-24)15-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,13,16,18-19H,6-7,9,12,14-15,17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203626 (CHEMBL247557 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(3.16,-28.04,;4.15,-29.22,;5.67,-28.95,;6.66,-30.13,;8.18,-29.86,;8.7,-28.41,;7.71,-27.23,;8.24,-25.78,;7.25,-24.61,;5.73,-24.88,;5.21,-26.33,;6.2,-27.51,;6.14,-31.58,;7.13,-32.75,;6.76,-34.25,;5.33,-34.83,;8.07,-35.06,;9.24,-34.07,;10.78,-33.96,;11.77,-35.15,;13.28,-34.88,;13.8,-33.43,;14.27,-36.05,;13.75,-37.5,;14.74,-38.68,;12.23,-37.77,;11.24,-36.59,;9.72,-36.85,;11.16,-32.48,;12.53,-31.75,;12.58,-30.21,;11.26,-29.38,;9.9,-30.11,;9.85,-31.65,;8.67,-32.64,)| Show InChI InChI=1S/C29H32ClN5/c1-5-15-33(16-13-23-10-7-6-8-11-23)19-26-22(4)32-29-34(26)25-12-9-14-31-28(25)35(29)27-21(3)17-20(2)18-24(27)30/h6-12,14,17-18H,5,13,15-16,19H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153425 (CHEMBL183846 | Cyclopropanecarboxylic acid {3-[2-(...) Show SMILES O=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C25H29NO2/c27-25(21-15-16-21)26-17-7-12-20-11-6-14-24-23(20)18-22(28-24)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,14,18,21H,4-5,7,10,12-13,15-17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203611 (CHEMBL393044 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(16.3,-32.74,;17.29,-33.92,;18.81,-33.65,;19.8,-34.83,;21.32,-34.56,;21.84,-33.11,;23.23,-32.46,;22.58,-31.07,;21.19,-31.72,;19.28,-36.27,;20.27,-37.45,;19.9,-38.95,;18.47,-39.53,;21.21,-39.76,;22.39,-38.77,;23.93,-38.66,;24.92,-39.84,;26.42,-39.57,;26.94,-38.13,;27.41,-40.75,;26.89,-42.2,;27.88,-43.38,;25.37,-42.47,;24.38,-41.29,;22.86,-41.55,;24.3,-37.18,;25.67,-36.45,;25.73,-34.9,;24.41,-34.08,;23.04,-34.81,;22.99,-36.35,;21.81,-37.34,)| Show InChI InChI=1S/C26H32ClN5/c1-5-12-30(15-20-8-6-9-20)16-23-19(4)29-26-31(23)22-10-7-11-28-25(22)32(26)24-18(3)13-17(2)14-21(24)27/h7,10-11,13-14,20H,5-6,8-9,12,15-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153424 (CHEMBL186977 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/c1-2-25(28)26-20-15-16-27(18-20)23-13-8-14-24-22(23)17-21(29-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203587 (CHEMBL392655 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(16.66,-44.12,;18.18,-43.85,;19.17,-45.03,;20.68,-44.76,;21.21,-43.31,;20.22,-42.13,;20.74,-40.69,;19.75,-39.51,;18.24,-39.78,;17.71,-41.24,;18.71,-42.41,;18.65,-46.48,;19.64,-47.66,;19.27,-49.15,;17.84,-49.73,;20.57,-49.96,;21.75,-48.98,;23.29,-48.87,;24.28,-50.05,;25.79,-49.78,;26.31,-48.33,;26.78,-50.95,;26.25,-52.41,;27.24,-53.59,;24.73,-52.67,;23.75,-51.49,;22.23,-51.76,;23.67,-47.38,;25.03,-46.66,;25.09,-45.11,;23.77,-44.29,;22.41,-45.01,;22.35,-46.55,;21.17,-47.55,)| Show InChI InChI=1S/C28H30ClN5/c1-5-32(15-13-22-10-7-6-8-11-22)18-25-21(4)31-28-33(25)24-12-9-14-30-27(24)34(28)26-20(3)16-19(2)17-23(26)29/h6-12,14,16-17H,5,13,15,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153433 (CHEMBL184144 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-2-9-26(29)27-21-16-17-28(19-21)24-14-8-15-25-23(24)18-22(30-25)13-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18,21H,2,6-7,9,12-13,16-17,19H2,1H3,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153429 (CHEMBL363936 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H29NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203625 (CHEMBL246501 | ethyl-[2-methyl-8-(2,4,6-trimethyl-...) Show SMILES CCN(CCc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(38.71,1.01,;38.18,-.44,;36.66,-.71,;35.88,.62,;34.34,.6,;33.55,1.92,;34.31,3.25,;33.52,4.58,;31.98,4.56,;31.23,3.2,;32.02,1.89,;36.14,-2.15,;37.13,-3.33,;36.76,-4.83,;35.34,-5.41,;38.07,-5.64,;39.25,-4.65,;40.79,-4.54,;41.78,-5.72,;43.28,-5.45,;43.81,-4.01,;44.27,-6.63,;43.75,-8.08,;44.74,-9.26,;42.23,-8.35,;41.24,-7.17,;39.73,-7.43,;41.16,-3.06,;42.53,-2.33,;42.59,-.78,;41.27,.04,;39.91,-.69,;39.85,-2.23,;38.67,-3.22,)| Show InChI InChI=1S/C29H33N5/c1-6-32(16-14-24-11-8-7-9-12-24)19-26-23(5)31-29-33(26)25-13-10-15-30-28(25)34(29)27-21(3)17-20(2)18-22(27)4/h7-13,15,17-18H,6,14,16,19H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203598 (CHEMBL397389 | cyclobutylmethyl-[2-methyl-8-(2,4,6...) Show SMILES CCCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(24.76,4.65,;23.25,4.38,;22.72,2.93,;21.2,2.66,;20.42,3.99,;18.88,3.97,;17.77,5.05,;16.7,3.94,;17.8,2.87,;20.68,1.22,;21.67,.04,;21.3,-1.46,;19.88,-2.04,;22.61,-2.27,;23.79,-1.28,;25.33,-1.17,;26.32,-2.35,;27.82,-2.08,;28.35,-.64,;28.81,-3.26,;28.29,-4.71,;29.28,-5.89,;26.77,-4.98,;25.78,-3.8,;24.27,-4.06,;25.7,.32,;27.07,1.04,;27.13,2.59,;25.81,3.41,;24.45,2.68,;24.39,1.14,;23.21,.15,)| Show InChI InChI=1S/C27H35N5/c1-6-13-30(16-22-9-7-10-22)17-24-21(5)29-27-31(24)23-11-8-12-28-26(23)32(27)25-19(3)14-18(2)15-20(25)4/h8,11-12,14-15,22H,6-7,9-10,13,16-17H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203621 (8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-3-(3-phe...) Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCC(C1)c1ccccc1 |w:26.32,(5.93,-4.83,;7.36,-4.25,;8.67,-5.07,;9.84,-4.08,;11.38,-3.97,;12.37,-5.15,;13.88,-4.88,;14.4,-3.43,;14.87,-6.05,;14.34,-7.51,;15.34,-8.69,;12.83,-7.78,;11.84,-6.6,;10.32,-6.86,;11.76,-2.48,;13.13,-1.76,;13.18,-.21,;11.81,.68,;10.5,-.12,;10.45,-1.66,;9.26,-2.65,;7.73,-2.76,;6.74,-1.58,;7.26,-.13,;8.73,.29,;8.78,1.83,;7.34,2.35,;6.39,1.14,;6.91,3.83,;7.99,4.94,;7.56,6.4,;6.07,6.78,;5,5.67,;5.43,4.19,)| Show InChI InChI=1S/C28H28ClN5/c1-18-14-19(2)26(23(29)15-18)34-27-24(10-7-12-30-27)33-25(20(3)31-28(33)34)17-32-13-11-22(16-32)21-8-5-4-6-9-21/h4-10,12,14-15,22H,11,13,16-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153422 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/c1-2-9-26(28)27-18-20-16-23(20)22-14-8-15-25-24(22)17-21(29-25)13-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,14-15,17,20,23H,2,6-7,9,12-13,16,18H2,1H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153422 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/c1-2-9-26(28)27-18-20-16-23(20)22-14-8-15-25-24(22)17-21(29-25)13-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,14-15,17,20,23H,2,6-7,9,12-13,16,18H2,1H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203609 (CHEMBL247151 | allyl-[8-(2-chloro-4,6-dimethyl-phe...) Show SMILES CCCN(CC=C)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-10.99,4.06,;-10,2.89,;-8.48,3.16,;-7.49,1.98,;-5.97,2.25,;-5.45,3.7,;-3.93,3.97,;-8.01,.53,;-7.02,-.65,;-7.39,-2.14,;-8.82,-2.72,;-6.08,-2.95,;-4.91,-1.97,;-3.37,-1.86,;-2.38,-3.04,;-.87,-2.77,;-.35,-1.32,;.12,-3.94,;-.41,-5.4,;.59,-6.58,;-1.92,-5.66,;-2.91,-4.48,;-4.43,-4.75,;-2.99,-.37,;-1.62,.35,;-1.57,1.9,;-2.89,2.72,;-4.25,2,;-4.3,.46,;-5.48,-.54,)| Show InChI InChI=1S/C24H28ClN5/c1-6-11-28(12-7-2)15-21-18(5)27-24-29(21)20-9-8-10-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h6,8-10,13-14H,1,7,11-12,15H2,2-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203590 (CHEMBL395929 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(6.49,-8.21,;7.48,-9.39,;8.99,-9.12,;9.99,-10.29,;11.5,-10.02,;12.03,-8.57,;13.19,-7.59,;11.74,-7.06,;9.46,-11.74,;10.45,-12.92,;10.09,-14.42,;8.66,-14.99,;11.39,-15.23,;12.57,-14.24,;14.11,-14.13,;15.1,-15.31,;16.6,-15.05,;17.13,-13.6,;17.6,-16.22,;17.07,-17.67,;18.06,-18.85,;15.56,-17.94,;14.56,-16.76,;13.05,-17.03,;14.48,-12.65,;15.85,-11.92,;15.91,-10.37,;14.59,-9.55,;13.23,-10.27,;13.17,-11.81,;11.99,-12.81,)| Show InChI InChI=1S/C25H30ClN5/c1-5-11-29(14-19-8-9-19)15-22-18(4)28-25-30(22)21-7-6-10-27-24(21)31(25)23-17(3)12-16(2)13-20(23)26/h6-7,10,12-13,19H,5,8-9,11,14-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153433 (CHEMBL184144 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-2-9-26(29)27-21-16-17-28(19-21)24-14-8-15-25-23(24)18-22(30-25)13-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18,21H,2,6-7,9,12-13,16-17,19H2,1H3,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153421 (CHEMBL188016 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H28N2O2/c1-18(27)25-20-14-15-26(17-20)23-12-7-13-24-22(23)16-21(28-24)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,16,20H,5-6,10-11,14-15,17H2,1H3,(H,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203589 (CHEMBL391141 | cyclopropylmethyl-[2-methyl-8-(2,4,...) Show SMILES CCCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(6.48,-8.21,;7.47,-9.39,;8.99,-9.12,;9.98,-10.3,;11.5,-10.03,;12.02,-8.58,;13.19,-7.59,;11.74,-7.06,;9.46,-11.74,;10.45,-12.92,;10.08,-14.42,;8.65,-15,;11.39,-15.23,;12.57,-14.24,;14.11,-14.13,;15.1,-15.31,;16.6,-15.05,;17.12,-13.6,;17.6,-16.22,;17.07,-17.68,;18.05,-18.85,;15.55,-17.94,;14.56,-16.77,;13.05,-17.02,;14.48,-12.65,;15.85,-11.92,;15.91,-10.37,;14.59,-9.55,;13.22,-10.28,;13.17,-11.82,;11.98,-12.82,)| Show InChI InChI=1S/C26H33N5/c1-6-12-29(15-21-9-10-21)16-23-20(5)28-26-30(23)22-8-7-11-27-25(22)31(26)24-18(3)13-17(2)14-19(24)4/h7-8,11,13-14,21H,6,9-10,12,15-16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203610 (CHEMBL247359 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(31.17,-11.99,;32.16,-13.17,;33.68,-12.9,;34.67,-14.08,;36.19,-13.81,;36.71,-12.36,;38.23,-12.09,;39.67,-12.61,;39.4,-11.1,;34.15,-15.53,;35.14,-16.7,;34.77,-18.2,;33.34,-18.78,;36.08,-19.01,;37.26,-18.02,;38.8,-17.92,;39.78,-19.1,;41.29,-18.83,;41.81,-17.38,;42.28,-20,;41.76,-21.46,;42.75,-22.64,;40.24,-21.72,;39.25,-20.54,;37.73,-20.81,;39.17,-16.43,;40.54,-15.71,;40.59,-14.16,;39.27,-13.33,;37.91,-14.06,;37.86,-15.6,;36.68,-16.59,)| Show InChI InChI=1S/C26H32ClN5/c1-5-12-30(13-10-20-8-9-20)16-23-19(4)29-26-31(23)22-7-6-11-28-25(22)32(26)24-18(3)14-17(2)15-21(24)27/h6-7,11,14-15,20H,5,8-10,12-13,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203624 (CHEMBL393250 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCCN(CCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(17.27,3.89,;18.26,2.71,;19.78,2.99,;20.77,1.81,;22.28,2.08,;22.81,3.53,;24.32,3.8,;20.24,.36,;21.24,-.82,;20.87,-2.31,;19.44,-2.89,;22.17,-3.13,;23.35,-2.14,;24.89,-2.03,;25.88,-3.21,;27.39,-2.94,;27.91,-1.49,;28.38,-4.11,;27.85,-5.57,;28.84,-6.75,;26.33,-5.83,;25.35,-4.65,;23.83,-4.92,;25.27,-.54,;26.63,.18,;26.69,1.73,;25.37,2.55,;24.01,1.83,;23.95,.29,;22.77,-.71,)| Show InChI InChI=1S/C24H30ClN5/c1-6-11-28(12-7-2)15-21-18(5)27-24-29(21)20-9-8-10-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h8-10,13-14H,6-7,11-12,15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153435 (1-cyclopropylcarboxamidomethyl-2-[2-(4-phenylbutyl...) Show SMILES O=C(NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H29NO2/c28-26(19-13-14-19)27-17-20-15-23(20)22-11-6-12-25-24(22)16-21(29-25)10-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,11-12,16,19-20,23H,4-5,9-10,13-15,17H2,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153427 (CHEMBL184990 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31NO2/c1-2-10-25(27)26-18-9-15-21-14-8-17-24-23(21)19-22(28-24)16-7-6-13-20-11-4-3-5-12-20/h3-5,8,11-12,14,17,19H,2,6-7,9-10,13,15-16,18H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203608 (CHEMBL245671 | cyclopropylmethyl-propyl-[2-trifluo...) Show SMILES CCCN(CC1CC1)Cc1c(nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12)C(F)(F)F |(-3.33,4.87,;-4.85,4.6,;-5.37,3.15,;-6.89,2.88,;-7.68,4.2,;-9.22,4.18,;-10.56,4.94,;-10.54,3.4,;-7.41,1.43,;-6.42,.25,;-6.79,-1.24,;-5.48,-2.06,;-4.31,-1.07,;-2.77,-.96,;-1.78,-2.14,;-.27,-1.87,;.25,-.42,;.72,-3.04,;.19,-4.5,;1.18,-5.68,;-1.32,-4.76,;-2.31,-3.59,;-3.83,-3.85,;-2.39,.53,;-1.03,1.25,;-.97,2.8,;-2.29,3.62,;-3.65,2.9,;-3.7,1.36,;-4.89,.36,;-8.22,-1.82,;-9.71,-2.21,;-7.74,-3.28,;-8.7,-.36,)| Show InChI InChI=1S/C26H30F3N5/c1-5-11-32(14-19-8-9-19)15-21-23(26(27,28)29)31-25-33(21)20-7-6-10-30-24(20)34(25)22-17(3)12-16(2)13-18(22)4/h6-7,10,12-13,19H,5,8-9,11,14-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203617 (CHEMBL395833 | cyclobutylmethyl-[2-ethyl-8-(2,4,6-...) Show SMILES CCCN(CC1CCC1)Cc1c(CC)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(11.68,4.65,;10.16,4.38,;9.64,2.93,;8.12,2.66,;7.34,3.99,;5.8,3.97,;4.69,5.05,;3.62,3.94,;4.72,2.87,;7.6,1.22,;8.59,.04,;8.22,-1.46,;6.8,-2.04,;5.58,-1.09,;9.53,-2.27,;10.71,-1.28,;12.25,-1.17,;13.24,-2.35,;14.74,-2.08,;15.27,-.64,;15.73,-3.26,;15.21,-4.71,;16.2,-5.89,;13.69,-4.98,;12.7,-3.8,;11.18,-4.06,;12.62,.32,;13.99,1.04,;14.05,2.59,;12.73,3.41,;11.36,2.68,;11.31,1.14,;10.13,.15,)| Show InChI InChI=1S/C28H37N5/c1-6-14-31(17-22-10-8-11-22)18-25-23(7-2)30-28-32(25)24-12-9-13-29-27(24)33(28)26-20(4)15-19(3)16-21(26)5/h9,12-13,15-16,22H,6-8,10-11,14,17-18H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203597 (CHEMBL556060 | dibutyl-[8-(2-chloro-4,6-dimethyl-p...) Show SMILES CCCCN(CCCC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(3.39,-10.54,;2.87,-11.99,;1.35,-12.26,;.83,-13.7,;-.68,-13.98,;-1.67,-12.8,;-3.19,-13.07,;-4.18,-11.89,;-5.69,-12.16,;-1.21,-15.42,;-.22,-16.6,;-.58,-18.09,;-2.01,-18.67,;.72,-18.9,;1.9,-17.92,;3.44,-17.81,;4.42,-18.98,;5.93,-18.71,;6.45,-17.27,;6.92,-19.89,;6.39,-21.35,;7.39,-22.52,;4.88,-21.61,;3.89,-20.43,;2.38,-20.69,;3.81,-16.33,;5.17,-15.6,;5.24,-14.05,;3.92,-13.23,;2.56,-13.96,;2.5,-15.49,;1.32,-16.49,)| Show InChI InChI=1S/C26H34ClN5/c1-6-8-13-30(14-9-7-2)17-23-20(5)29-26-31(23)22-11-10-12-28-25(22)32(26)24-19(4)15-18(3)16-21(24)27/h10-12,15-16H,6-9,13-14,17H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153434 (CHEMBL365852 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C23H27NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,17H,5-6,8,11,13-14,16H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203599 (CHEMBL247558 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCN(CC1CCC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(-10.49,-43.18,;-8.98,-42.91,;-7.99,-44.09,;-6.47,-43.82,;-5.95,-42.37,;-4.56,-41.72,;-5.21,-40.33,;-6.61,-40.98,;-8.51,-45.54,;-7.52,-46.72,;-7.89,-48.21,;-9.31,-48.79,;-6.58,-49.02,;-5.4,-48.04,;-3.86,-47.93,;-2.87,-49.11,;-1.37,-48.84,;-.84,-47.39,;-.38,-50.01,;-.9,-51.47,;.09,-52.65,;-2.42,-51.73,;-3.41,-50.55,;-4.92,-50.82,;-3.49,-46.44,;-2.12,-45.72,;-2.06,-44.17,;-3.38,-43.34,;-4.74,-44.07,;-4.8,-45.61,;-5.98,-46.6,)| Show InChI InChI=1S/C25H30ClN5/c1-5-29(14-19-8-6-9-19)15-22-18(4)28-25-30(22)21-10-7-11-27-24(21)31(25)23-17(3)12-16(2)13-20(23)26/h7,10-13,19H,5-6,8-9,14-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153431 (1-Ethyl-3-{3-[2-(4-phenyl-butyl)-benzofuran-4-yl]-...) Show SMILES CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H30N2O2/c1-2-25-24(27)26-17-9-14-20-13-8-16-23-22(20)18-21(28-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153421 (CHEMBL188016 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H28N2O2/c1-18(27)25-20-14-15-26(17-20)23-12-7-13-24-22(23)16-21(28-24)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,16,20H,5-6,10-11,14-15,17H2,1H3,(H,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153436 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(C)C(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,16,18,20,23H,6-7,11-12,15,17H2,1-2H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203594 (CHEMBL391169 | bis-cyclopropylmethyl-[2-methyl-8-(...) Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC1CC1)CC1CC1 |(19.36,-18.14,;20.79,-17.56,;22.1,-18.37,;23.28,-17.38,;24.81,-17.27,;25.8,-18.45,;27.31,-18.18,;27.83,-16.74,;28.3,-19.36,;27.78,-20.81,;28.77,-21.99,;26.26,-21.08,;25.27,-19.9,;23.75,-20.16,;25.19,-15.79,;26.56,-15.06,;26.61,-13.51,;25.29,-12.69,;23.93,-13.42,;23.88,-14.96,;22.7,-15.95,;21.16,-16.06,;20.17,-14.88,;20.69,-13.44,;22.21,-13.17,;22.73,-11.72,;23.9,-10.73,;22.45,-10.2,;19.7,-12.26,;18.18,-12.53,;16.74,-12.01,;17.01,-13.53,)| Show InChI InChI=1S/C27H33N5/c1-17-12-18(2)25(19(3)13-17)32-26-23(6-5-11-28-26)31-24(20(4)29-27(31)32)16-30(14-21-7-8-21)15-22-9-10-22/h5-6,11-13,21-22H,7-10,14-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203619 (CHEMBL430391 | diallyl-[2-methyl-8-(2,4,6-trimethy...) Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n2c1CN(CC=C)CC=C |(4.62,-18.05,;6.05,-17.47,;7.36,-18.28,;8.53,-17.3,;10.07,-17.19,;11.06,-18.37,;12.57,-18.1,;13.09,-16.65,;13.56,-19.27,;13.03,-20.73,;14.03,-21.91,;11.52,-20.99,;10.53,-19.81,;9.01,-20.08,;10.45,-15.7,;11.82,-14.98,;11.87,-13.43,;10.55,-12.61,;9.19,-13.33,;9.14,-14.87,;7.96,-15.87,;6.42,-15.98,;5.43,-14.8,;5.95,-13.35,;4.96,-12.17,;3.44,-12.44,;2.45,-11.27,;7.47,-13.08,;7.99,-11.63,;9.51,-11.36,)| Show InChI InChI=1S/C25H29N5/c1-7-12-28(13-8-2)16-22-20(6)27-25-29(22)21-10-9-11-26-24(21)30(25)23-18(4)14-17(3)15-19(23)5/h7-11,14-15H,1-2,12-13,16H2,3-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203602 (CHEMBL247358 | diallyl-[8-(2-chloro-4,6-dimethyl-p...) Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN(CC=C)CC=C |(-8.91,-17.58,;-7.48,-17,;-6.18,-17.81,;-5,-16.83,;-3.46,-16.72,;-2.47,-17.9,;-.96,-17.63,;-.44,-16.18,;.03,-18.8,;-.5,-20.26,;.49,-21.44,;-2.02,-20.52,;-3.01,-19.34,;-4.52,-19.61,;-3.09,-15.23,;-1.72,-14.51,;-1.66,-12.96,;-2.98,-12.14,;-4.34,-12.86,;-4.4,-14.4,;-5.58,-15.4,;-7.11,-15.51,;-8.11,-14.33,;-7.58,-12.88,;-8.58,-11.7,;-10.09,-11.97,;-11.08,-10.8,;-6.07,-12.61,;-5.54,-11.16,;-4.03,-10.89,)| Show InChI InChI=1S/C24H26ClN5/c1-6-11-28(12-7-2)15-21-18(5)27-24-29(21)20-9-8-10-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h6-10,13-14H,1-2,11-12,15H2,3-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203600 (CHEMBL246944 | benzyl-[8-(2-chloro-4,6-dimethyl-ph...) Show SMILES CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)Cc1ccccc1 |(29.67,-32.19,;30.67,-33.37,;32.18,-33.1,;33.17,-34.28,;32.65,-35.73,;33.64,-36.9,;33.27,-38.4,;31.85,-38.98,;34.58,-39.21,;35.76,-38.22,;37.3,-38.11,;38.29,-39.29,;39.79,-39.03,;40.32,-37.58,;40.78,-40.2,;40.26,-41.65,;41.25,-42.83,;38.74,-41.92,;37.75,-40.74,;36.23,-41,;37.67,-36.63,;39.04,-35.9,;39.1,-34.36,;37.78,-33.53,;36.41,-34.26,;36.36,-35.8,;35.18,-36.79,;34.69,-34.01,;35.21,-32.56,;36.73,-32.29,;37.25,-30.85,;36.26,-29.67,;34.73,-29.94,;34.22,-31.39,)| Show InChI InChI=1S/C28H30ClN5/c1-5-14-32(17-22-10-7-6-8-11-22)18-25-21(4)31-28-33(25)24-12-9-13-30-27(24)34(28)26-20(3)15-19(2)16-23(26)29/h6-13,15-16H,5,14,17-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153428 (1-Ethyl-3-{(1R,2R)-2-[2-(4-phenyl-butyl)-benzofura...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/c1-2-26-25(28)27-17-19-15-22(19)21-13-8-14-24-23(21)16-20(29-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H2,26,27,28)/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153435 (1-cyclopropylcarboxamidomethyl-2-[2-(4-phenylbutyl...) Show SMILES O=C(NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H29NO2/c28-26(19-13-14-19)27-17-20-15-23(20)22-11-6-12-25-24(22)16-21(29-25)10-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,11-12,16,19-20,23H,4-5,9-10,13-15,17H2,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203606 (CHEMBL247755 | butyl-[8-(2-chloro-4,6-dimethyl-phe...) Show SMILES CCCCN(CC)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(38.38,-42.11,;37.86,-43.56,;36.34,-43.83,;35.82,-45.28,;34.3,-45.55,;33.31,-44.37,;31.79,-44.64,;33.78,-46.99,;34.77,-48.17,;34.4,-49.67,;32.98,-50.25,;35.71,-50.48,;36.89,-49.49,;38.43,-49.38,;39.42,-50.56,;40.92,-50.29,;41.45,-48.84,;41.91,-51.47,;41.39,-52.92,;42.38,-54.1,;39.87,-53.19,;38.88,-52.01,;37.36,-52.27,;38.8,-47.89,;40.17,-47.17,;40.23,-45.62,;38.85,-44.73,;37.54,-45.53,;37.49,-47.07,;36.31,-48.06,)| Show InChI InChI=1S/C24H30ClN5/c1-6-8-12-28(7-2)15-21-18(5)27-24-29(21)20-10-9-11-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h9-11,13-14H,6-8,12,15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203588 (CHEMBL392654 | [8-(2-chloro-4,6-dimethyl-phenyl)-2...) Show SMILES CCN(CC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12 |(17.67,-28.23,;19.19,-27.96,;20.18,-29.14,;21.69,-28.87,;22.22,-27.42,;23.39,-26.43,;21.94,-25.9,;19.66,-30.58,;20.65,-31.76,;20.28,-33.26,;18.85,-33.84,;21.59,-34.07,;22.76,-33.08,;24.3,-32.97,;25.29,-34.15,;26.8,-33.88,;27.32,-32.44,;27.79,-35.06,;27.26,-36.51,;28.25,-37.69,;25.74,-36.78,;24.76,-35.6,;23.24,-35.86,;24.68,-31.49,;26.04,-30.76,;26.1,-29.22,;24.78,-28.39,;23.42,-29.12,;23.37,-30.66,;22.18,-31.65,)| Show InChI InChI=1S/C24H28ClN5/c1-5-28(13-18-8-9-18)14-21-17(4)27-24-29(21)20-7-6-10-26-23(20)30(24)22-16(3)11-15(2)12-19(22)25/h6-7,10-12,18H,5,8-9,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153430 (1-Ethyl-3-{(S)-1-[2-(4-phenyl-butyl)-benzofuran-4-...) Show SMILES CCNC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31N3O2/c1-2-26-25(29)27-20-15-16-28(18-20)23-13-8-14-24-22(23)17-21(30-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H2,26,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203604 (CHEMBL247152 | allyl-[2-methyl-8-(2,4,6-trimethyl-...) Show SMILES CCCN(CC=C)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(2.74,3.94,;3.73,2.76,;5.25,3.03,;6.24,1.85,;7.76,2.12,;8.28,3.57,;9.8,3.84,;5.72,.4,;6.71,-.77,;6.34,-2.27,;4.91,-2.85,;7.65,-3.08,;8.83,-2.09,;10.36,-1.99,;11.35,-3.17,;12.86,-2.9,;13.38,-1.45,;13.85,-4.07,;13.33,-5.53,;14.32,-6.7,;11.81,-5.79,;10.82,-4.61,;9.3,-4.87,;10.74,-.5,;12.11,.22,;12.16,1.77,;10.84,2.6,;9.48,1.87,;9.43,.33,;8.25,-.66,)| Show InChI InChI=1S/C25H31N5/c1-7-12-28(13-8-2)16-22-20(6)27-25-29(22)21-10-9-11-26-24(21)30(25)23-18(4)14-17(3)15-19(23)5/h7,9-11,14-15H,1,8,12-13,16H2,2-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153437 (CHEMBL363441 | Cyclopropanecarboxylic acid {(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H30N2O2/c29-26(20-13-14-20)27-21-15-16-28(18-21)24-11-6-12-25-23(24)17-22(30-25)10-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,11-12,17,20-21H,4-5,9-10,13-16,18H2,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203612 ((2-cyclopropyl-ethyl)-[2-methyl-8-(2,4,6-trimethyl...) Show SMILES CCCN(CCC1CC1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3C)c3ncccc3n12 |(-12.12,-26.35,;-11.13,-27.53,;-9.61,-27.26,;-8.62,-28.43,;-7.1,-28.16,;-6.58,-26.71,;-5.06,-26.44,;-3.62,-26.97,;-3.89,-25.45,;-9.14,-29.88,;-8.15,-31.06,;-8.52,-32.55,;-9.95,-33.13,;-7.21,-33.37,;-6.03,-32.38,;-4.5,-32.27,;-3.51,-33.45,;-2,-33.18,;-1.48,-31.73,;-1.01,-34.35,;-1.53,-35.81,;-.54,-36.99,;-3.05,-36.08,;-4.04,-34.9,;-5.56,-35.16,;-4.12,-30.78,;-2.75,-30.06,;-2.7,-28.51,;-4.02,-27.69,;-5.38,-28.42,;-5.43,-29.96,;-6.61,-30.95,)| Show InChI InChI=1S/C27H35N5/c1-6-13-30(14-11-22-9-10-22)17-24-21(5)29-27-31(24)23-8-7-12-28-26(23)32(27)25-19(3)15-18(2)16-20(25)4/h7-8,12,15-16,22H,6,9-11,13-14,17H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50203615 (3-(2-benzyl-pyrrolidin-1-ylmethyl)-8-(2-chloro-4,6...) Show SMILES Cc1nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n2c1CN1CCCC1Cc1ccccc1 |w:27.32,(21.49,-4.05,;22.92,-3.48,;24.23,-4.29,;25.41,-3.3,;26.95,-3.19,;27.94,-4.37,;29.44,-4.1,;29.97,-2.65,;30.43,-5.28,;29.91,-6.73,;30.9,-7.91,;28.39,-7,;27.4,-5.82,;25.88,-6.08,;27.32,-1.7,;28.69,-.98,;28.75,.57,;27.37,1.46,;26.06,.66,;26.01,-.88,;24.83,-1.87,;23.29,-1.98,;22.3,-.8,;22.82,.64,;24.3,1.07,;24.35,2.61,;22.9,3.13,;21.96,1.91,;20.42,1.96,;19.69,3.32,;20.5,4.63,;19.78,5.98,;18.24,6.03,;17.43,4.71,;18.16,3.36,)| Show InChI InChI=1S/C29H30ClN5/c1-19-15-20(2)27(24(30)16-19)35-28-25(12-7-13-31-28)34-26(21(3)32-29(34)35)18-33-14-8-11-23(33)17-22-9-5-4-6-10-22/h4-7,9-10,12-13,15-16,23H,8,11,14,17-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production				Bioorg Med Chem Lett 17: 2026-30 (2007) Article DOI: 10.1016/j.bmcl.2007.01.008 BindingDB Entry DOI: 10.7270/Q21R6Q5Q
					More data for this Ligand-Target Pair

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