Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50048562   

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
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222124 (CHEMBL97340) Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C Show InChI InChI=1S/C22H27N3O/c1-5-19(15-7-8-15)25-20(6-2)24-21-18(11-12-23-22(21)25)17-10-9-16(26-4)13-14(17)3/h9-13,15,19H,5-8H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222115 (CHEMBL100157) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F Show InChI InChI=1S/C20H23F3N4O/c1-5-7-12(3)27-15(6-2)25-17-13(10-11-24-19(17)27)14-8-9-16(28-4)26-18(14)20(21,22)23/h8-12H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222117 (CHEMBL328163) Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F Show InChI InChI=1S/C21H23F3N4O/c1-4-15(12-6-7-12)28-16(5-2)26-18-13(10-11-25-20(18)28)14-8-9-17(29-3)27-19(14)21(22,23)24/h8-12,15H,4-7H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222119 (CHEMBL316624) Show SMILES CCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F Show InChI InChI=1S/C19H21F3N4O/c1-5-11(3)26-14(6-2)24-16-12(9-10-23-18(16)26)13-7-8-15(27-4)25-17(13)19(20,21)22/h7-11H,5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222122 (CHEMBL99286) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C Show InChI InChI=1S/C20H26N4O/c1-6-8-13(3)24-17(7-2)23-19-16(11-12-21-20(19)24)15-9-10-18(25-5)22-14(15)4/h9-13H,6-8H2,1-5H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222120 (CHEMBL420442) Show SMILES CCc1nc2c(ncnc2n1C(C1CC1)C1CC1)-c1ccc(OC)nc1C Show InChI InChI=1S/C21H25N5O/c1-4-16-25-19-18(15-9-10-17(27-3)24-12(15)2)22-11-23-21(19)26(16)20(13-5-6-13)14-7-8-14/h9-11,13-14,20H,4-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222112 (CHEMBL98093) Show SMILES CCc1nc2c(ccnc2n1C(C)C1CC1)-c1ccc(OC)nc1C Show InChI InChI=1S/C20H24N4O/c1-5-17-23-19-16(15-8-9-18(25-4)22-12(15)2)10-11-21-20(19)24(17)13(3)14-6-7-14/h8-11,13-14H,5-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222123 (CHEMBL99239) Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(OC)nc1C Show InChI InChI=1S/C21H26N4O/c1-5-18-24-20-17(16-9-10-19(26-4)23-13(16)2)11-12-22-21(20)25(18)14(3)15-7-6-8-15/h9-12,14-15H,5-8H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222116 (CHEMBL318051) Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)nc1C Show InChI InChI=1S/C20H23ClN4/c1-4-16(13-6-7-13)25-18(5-2)24-19-15(10-11-22-20(19)25)14-8-9-17(21)23-12(14)3/h8-11,13,16H,4-7H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222121 (CHEMBL99098) Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(nc1C)N(C)C Show InChI InChI=1S/C22H29N5/c1-6-18(15-8-9-15)27-19(7-2)25-21-17(12-13-23-22(21)27)16-10-11-20(26(4)5)24-14(16)3/h10-13,15,18H,6-9H2,1-5H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222118 (CHEMBL99093) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OCCO)nc1C(F)(F)F Show InChI InChI=1S/C21H25F3N4O2/c1-4-6-13(3)28-16(5-2)26-18-14(9-10-25-20(18)28)15-7-8-17(30-12-11-29)27-19(15)21(22,23)24/h7-10,13,29H,4-6,11-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222114 (CHEMBL319945) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1cnc(OC)cc1C Show InChI InChI=1S/C20H26N4O/c1-6-8-14(4)24-17(7-2)23-19-15(9-10-21-20(19)24)16-12-22-18(25-5)11-13(16)3/h9-12,14H,6-8H2,1-5H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1/2 (Rattus norvegicus (rat)-RAT)	BDBM50222111 (CHEMBL99097) Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(O)nc1C Show InChI InChI=1S/C19H24N4O/c1-5-7-12(3)23-16(6-2)22-18-15(10-11-20-19(18)23)14-8-9-17(24)21-13(14)4/h8-12H,5-7H2,1-4H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.				Bioorg Med Chem Lett 13: 289-91 (2003) BindingDB Entry DOI: 10.7270/Q2765HJ4
					More data for this Ligand-Target Pair