Compile Data Set for Download or QSAR

Found 662 hits with Last Name = 'schmitz' and Initial = 'wd'   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50426561 (CHEMBL2323965) Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N6/c1-13-11-21-14(2)20-23-19(24-26(13)20)16-8-9-25-12-17(22-18(25)10-16)15-6-4-3-5-7-15/h3-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...				US Patent US8975276 (2015) BindingDB Entry DOI: 10.7270/Q25M64F4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50426559 (CHEMBL2323964) Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1ccccn1 Show InChI InChI=1S/C19H15N7/c1-12-10-21-13(2)19-23-18(24-26(12)19)14-6-8-25-11-16(22-17(25)9-14)15-5-3-4-7-20-15/h3-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...				US Patent US8975276 (2015) BindingDB Entry DOI: 10.7270/Q25M64F4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50426560 (CHEMBL2323963) Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1cccc(c1)N1CC[C@H](F)C1 |r| Show InChI InChI=1S/C24H22FN7/c1-15-12-26-16(2)24-28-23(29-32(15)24)18-6-8-31-14-21(27-22(31)11-18)17-4-3-5-20(10-17)30-9-7-19(25)13-30/h3-6,8,10-12,14,19H,7,9,13H2,1-2H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...				US Patent US8975276 (2015) BindingDB Entry DOI: 10.7270/Q25M64F4
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM297163 (2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50300145 ((S)-5-Chloro-1-(cyclopropyl-2-methoxyethyl)-3-[6-(...) Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r| Show InChI InChI=1S/C18H21ClF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(7-14(19)24-15)13(8-27-3)11-4-5-11/h6-7,11,13,18H,4-5,8H2,1-3H3,(H,23,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				Bioorg Med Chem Lett 20: 1890-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.129 BindingDB Entry DOI: 10.7270/Q29G5MZ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293912 ((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293912 ((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293974 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(4-methoxy-...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O2/c1-5-15(13-6-7-13)23-10-17(20)22-18(19(23)24)21-14-8-12(3)16(25-4)9-11(14)2/h8-10,13,15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293964 ((S)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50300142 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-[6-(difluoro...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O |r| Show InChI InChI=1S/C17H19ClF2N4O2/c1-8-6-12(9(2)21-15(8)26-17(19)20)22-14-16(25)24(7-13(18)23-14)10(3)11-4-5-11/h6-7,10-11,17H,4-5H2,1-3H3,(H,22,23)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				Bioorg Med Chem Lett 20: 1890-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.129 BindingDB Entry DOI: 10.7270/Q29G5MZ4
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM149699 (US8975276, 26) Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1cccc(c1)C1CC1 Show InChI InChI=1S/C23H20N6/c1-14-12-24-15(2)23-26-22(27-29(14)23)19-8-9-28-13-20(25-21(28)11-19)18-5-3-4-17(10-18)16-6-7-16/h3-5,8-13,16H,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...				US Patent US8975276 (2015) BindingDB Entry DOI: 10.7270/Q25M64F4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293941 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-methoxy-2...) Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C18H22ClN3O2/c1-10-8-15(24-4)11(2)7-14(10)20-17-18(23)22(9-16(19)21-17)12(3)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293941 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(4-methoxy-2...) Show SMILES COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C |r| Show InChI InChI=1S/C18H22ClN3O2/c1-10-8-15(24-4)11(2)7-14(10)20-17-18(23)22(9-16(19)21-17)12(3)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293916 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,6-dichlo...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H18Cl3N3O2/c1-3-13(9-4-5-9)23-8-14(20)21-16(17(23)24)22-15-11(18)6-10(25-2)7-12(15)19/h6-9,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293935 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-[2,6-dichlor...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O |r| Show InChI InChI=1S/C16H14Cl3F2N3O2/c1-7(8-2-3-8)24-6-12(19)22-14(15(24)25)23-13-10(17)4-9(5-11(13)18)26-16(20)21/h4-8,16H,2-3H2,1H3,(H,22,23)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293973 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(4-methoxy-...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O2/c1-5-15(13-6-7-13)23-10-16(20)21-18(19(23)24)22-17-11(2)8-14(25-4)9-12(17)3/h8-10,13,15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293914 ((R)-5-chloro-1-(1-cyclopropylpropyl)-3-(2,4-dichlo...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H18Cl3N3O/c1-3-13(10-4-5-10)23-8-14(20)21-16(17(23)24)22-15-9(2)6-11(18)7-12(15)19/h6-8,10,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293914 ((R)-5-chloro-1-(1-cyclopropylpropyl)-3-(2,4-dichlo...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(Cl)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H18Cl3N3O/c1-3-13(10-4-5-10)23-8-14(20)21-16(17(23)24)22-15-9(2)6-11(18)7-12(15)19/h6-8,10,13H,3-5H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin releasing hormone receptor 2 (Sus scrofa)	BDBM50158983 (CHEMBL439883 | E G P P I S I D L S L E L L R K M I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C202H345N55O64S/c1-29-103(20)156(250-178(298)125(62-71-153(276)277)236-195(315)157(104(21)30-2)251-179(299)126(72-81-322-28)234-169(289)114(49-37-41-76-206)222-170(290)115(50-42-77-216-201(212)213)226-180(300)127(82-96(6)7)240-183(303)130(85-99(12)13)239-177(297)123(60-69-151(272)273)233-181(301)128(83-97(8)9)244-191(311)138(94-258)248-186(306)133(88-102(18)19)243-189(309)136(91-154(278)279)247-196(316)158(105(22)31-3)252-192(312)139(95-259)249-197(317)159(106(23)32-4)253-193(313)140-52-44-80-257(140)199(319)141-53-45-79-256(141)148(267)93-218-164(284)117-57-66-147(266)221-117)194(314)235-124(61-70-152(274)275)176(296)225-112(47-35-39-74-204)167(287)230-120(56-65-144(209)263)173(293)232-122(59-68-150(270)271)175(295)224-113(48-36-40-75-205)168(288)231-121(58-67-149(268)269)174(294)223-111(46-34-38-73-203)166(286)229-119(55-64-143(208)262)172(292)228-118(54-63-142(207)261)165(285)220-108(25)162(282)219-109(26)163(283)237-134(89-145(210)264)188(308)245-135(90-146(211)265)187(307)227-116(51-43-78-217-202(214)215)171(291)238-129(84-98(10)11)182(302)241-131(86-100(14)15)184(304)242-132(87-101(16)17)185(305)246-137(92-155(280)281)190(310)255-161(110(27)260)198(318)254-160(200(320)321)107(24)33-5/h96-141,156-161,258-260H,29-95,203-206H2,1-28H3,(H2,207,261)(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H,218,284)(H,219,282)(H,220,285)(H,221,266)(H,222,290)(H,223,294)(H,224,295)(H,225,296)(H,226,300)(H,227,307)(H,228,292)(H,229,286)(H,230,287)(H,231,288)(H,232,293)(H,233,301)(H,234,289)(H,235,314)(H,236,315)(H,237,283)(H,238,291)(H,239,297)(H,240,303)(H,241,302)(H,242,304)(H,243,309)(H,244,311)(H,245,308)(H,246,305)(H,247,316)(H,248,306)(H,249,317)(H,250,298)(H,251,299)(H,252,312)(H,253,313)(H,254,318)(H,255,310)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,212,213,216)(H4,214,215,217)/t103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-,161-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF2 receptor in pig choroid plexus by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293953 ((R)-5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)...) Show SMILES CC[C@H](COC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C18H24ClN3O3/c1-6-13(10-24-4)22-9-16(19)21-17(18(22)23)20-14-7-12(3)15(25-5)8-11(14)2/h7-9,13H,6,10H2,1-5H3,(H,20,21)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293952 (5-Chloro-3-(4-methoxy-2,5-dimethylphenylamino)-1-(...) Show SMILES CCCC(CCC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O Show InChI InChI=1S/C20H28ClN3O2/c1-6-8-15(9-7-2)24-12-18(21)23-19(20(24)25)22-16-10-14(4)17(26-5)11-13(16)3/h10-12,15H,6-9H2,1-5H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293981 ((R)-5-Chloro-3-(7-chloro-5-methoxyindolin-1-yl)-1-...) Show SMILES COc1cc2CCN(c2c(Cl)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O |r| Show InChI InChI=1S/C18H19Cl2N3O2/c1-10(11-3-4-11)23-9-15(20)21-17(18(23)24)22-6-5-12-7-13(25-2)8-14(19)16(12)22/h7-11H,3-6H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293913 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,4,6-trim...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O/c1-5-15(14-6-7-14)23-10-16(20)21-18(19(23)24)22-17-12(3)8-11(2)9-13(17)4/h8-10,14-15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293913 ((R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(2,4,6-trim...) Show SMILES CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O/c1-5-15(14-6-7-14)23-10-16(20)21-18(19(23)24)22-17-12(3)8-11(2)9-13(17)4/h8-10,14-15H,5-7H2,1-4H3,(H,21,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50313860 ((R)-5-chloro-1-(1-cyclopropylethyl)-3-(6-(dimethyl...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(nc2C)N(C)C)c1=O |r| Show InChI InChI=1S/C18H24ClN5O/c1-10-8-14(11(2)20-17(10)23(4)5)21-16-18(25)24(9-15(19)22-16)12(3)13-6-7-13/h8-9,12-13H,6-7H2,1-5H3,(H,21,22)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				Bioorg Med Chem Lett 20: 1890-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.129 BindingDB Entry DOI: 10.7270/Q29G5MZ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293951 (5-Chloro-1-(1-ethylpropyl)-3-(4-methoxy-2,5-dimeth...) Show SMILES CCC(CC)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O Show InChI InChI=1S/C18H24ClN3O2/c1-6-13(7-2)22-10-16(19)21-17(18(22)23)20-14-8-12(4)15(24-5)9-11(14)3/h8-10,13H,6-7H2,1-5H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297236 (2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-methoxy-5-...) Show SMILES COc1cc2c(cc1C(C)(C)O)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-26-28(32-18-22)23-16-27(38-5)24(31(2,3)37)17-25(23)36(26)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50313869 ((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O |r| Show InChI InChI=1S/C17H19ClF2N4O3/c1-9-11(5-6-14(21-9)27-17(19)20)22-15-16(25)24(7-13(18)23-15)12(8-26-2)10-3-4-10/h5-7,10,12,17H,3-4,8H2,1-2H3,(H,22,23)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				Bioorg Med Chem Lett 20: 1890-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.129 BindingDB Entry DOI: 10.7270/Q29G5MZ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50320241 (1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylp...) Show SMILES CCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)cc2C)c1=O Show InChI InChI=1S/C19H26N4O2/c1-6-16(14-7-8-14)23-19(24)18(20-13(4)22-23)21-15-9-12(3)17(25-5)10-11(15)2/h9-10,14,16H,6-8H2,1-5H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine CRF from rat CRF1 receptor				Bioorg Med Chem Lett 20: 3579-83 (2010) Article DOI: 10.1016/j.bmcl.2010.04.121 BindingDB Entry DOI: 10.7270/Q2SX6DDP
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297070 (5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297163 (2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293930 ((R)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trich...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1=O |r| Show InChI InChI=1S/C15H13Cl4N3O/c1-7(8-2-3-8)22-6-12(19)20-14(15(22)23)21-13-10(17)4-9(16)5-11(13)18/h4-8H,2-3H2,1H3,(H,20,21)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293982 ((R)-3-(7-Bromo-5-methoxyindolin-1-yl)-5-chloro-1-(...) Show SMILES COc1cc2CCN(c2c(Br)c1)c1nc(Cl)cn([C@H](C)C2CC2)c1=O |r| Show InChI InChI=1S/C18H19BrClN3O2/c1-10(11-3-4-11)23-9-15(20)21-17(18(23)24)22-6-5-12-7-13(25-2)8-14(19)16(12)22/h7-11H,3-6H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting				J Med Chem 52: 4173-91 (2009) Article DOI: 10.1021/jm900301y BindingDB Entry DOI: 10.7270/Q2G44Q9K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293929 ((R)-5-Chloro-3-(2-chloro-4,6-dimethylphenylamino)-...) Show SMILES C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(C)cc2Cl)c1=O |r| Show InChI InChI=1S/C17H19Cl2N3O/c1-9-6-10(2)15(13(18)7-9)21-16-17(23)22(8-14(19)20-16)11(3)12-4-5-12/h6-8,11-12H,4-5H2,1-3H3,(H,20,21)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique				J Med Chem 52: 4161-72 (2009) Article DOI: 10.1021/jm900302q BindingDB Entry DOI: 10.7270/Q2WW7JM0
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331306 (Methyl 5-(dimethyl-1,2-oxazol-4-yl)-13-methoxy-8-[...) Show SMILES COC(=O)c1cnc(OC)c2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c12)-c1c(C)noc1C |r| Show InChI InChI=1S/C30H30N4O5/c1-17-24(18(2)39-33-17)21-14-23-26(31-15-21)25-28(22(30(35)37-4)16-32-29(25)36-3)34(23)27(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-16,20,27H,10-13H2,1-4H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331316 (11-(1-Cyclopropyl-1H-pyrazol-4-yl)-5-(dimethyl-1H-...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)-c1cnn(c1)C1CC1 |r| Show InChI InChI=1S/C32H32N8O/c1-20-30(38(2)37-36-20)23-16-28-29(33-17-23)26-10-11-27(24-18-34-39(19-24)25-8-9-25)35-32(26)40(28)31(21-6-4-3-5-7-21)22-12-14-41-15-13-22/h3-7,10-11,16-19,22,25,31H,8-9,12-15H2,1-2H3/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331355 (N-(2-Methanesulfonylethyl)-5-[4-(2H3)methyl-1-meth...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(NCCS(C)(=O)=O)ccc21 |r| Show InChI InChI=1S/C29H33N7O3S/c1-19-27(35(2)34-33-19)22-17-24-26(31-18-22)23-9-10-25(30-13-16-40(3,37)38)32-29(23)36(24)28(20-7-5-4-6-8-20)21-11-14-39-15-12-21/h4-10,17-18,21,28H,11-16H2,1-3H3,(H,30,32)/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331356 (4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...) Show SMILES CC1CN(CC(C)S1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C32H37N7O3S/c1-20-18-38(19-21(2)43(20,40)41)28-11-10-26-29-27(16-25(17-33-29)30-22(3)35-36-37(30)4)39(32(26)34-28)31(23-8-6-5-7-9-23)24-12-14-42-15-13-24/h5-11,16-17,20-21,24,31H,12-15,18-19H2,1-4H3/t20?,21?,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331380 (5-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CC2CC1CS2(=O)=O |r,TLB:29:33:39.38:36| Show InChI InChI=1S/C31H33N7O3S/c1-19-29(36(2)35-34-19)22-14-26-28(32-16-22)25-8-9-27(37-17-24-15-23(37)18-42(24,39)40)33-31(25)38(26)30(20-6-4-3-5-7-20)21-10-12-41-13-11-21/h3-9,14,16,21,23-24,30H,10-13,15,17-18H2,1-2H3/t23?,24?,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331379 (4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...) Show SMILES CC1CN(CCS1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C31H35N7O3S/c1-20-19-37(13-16-42(20,39)40)27-10-9-25-28-26(17-24(18-32-28)29-21(2)34-35-36(29)3)38(31(25)33-27)30(22-7-5-4-6-8-22)23-11-14-41-15-12-23/h4-10,17-18,20,23,30H,11-16,19H2,1-3H3/t20?,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331385 ((2-{[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxa...) Show SMILES CCOP(O)(=O)CCNc1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C30H36N7O4P/c1-4-41-42(38,39)17-14-31-26-11-10-24-27-25(18-23(19-32-27)28-20(2)34-35-36(28)3)37(30(24)33-26)29(21-8-6-5-7-9-21)22-12-15-40-16-13-22/h5-11,18-19,22,29H,4,12-17H2,1-3H3,(H,31,33)(H,38,39)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331389 (2-[5-(Dimethyl-1,2-oxazol-4-yl)-8-[(S)-(4-fluoroph...) Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(ncc21)C(C)(C)O |r| Show InChI InChI=1S/C30H31FN4O3/c1-17-27(18(2)38-34-17)21-13-25-28(33-15-21)23-16-32-26(30(3,4)36)14-24(23)35(25)29(20-9-11-37-12-10-20)19-5-7-22(31)8-6-19/h5-8,13-16,20,29,36H,9-12H2,1-4H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331412 (8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-5,11-b...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1nc(ccc21)-c1c(C)nnn1C Show InChI InChI=1S/C29H29FN10O/c1-16-26(38(3)36-34-16)19-14-23-24(32-15-19)20-7-8-22(27-17(2)35-37-39(27)4)33-29(20)40(23)28(18-9-12-41-13-10-18)25-21(30)6-5-11-31-25/h5-8,11,14-15,18,28H,9-10,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331417 (11-[(3R,5S)-3,5-Dimethylpiperazin-1-yl]-5-[4-(2H3)...) Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C32H38N8O/c1-20-18-39(19-21(2)34-20)28-11-10-26-29-27(16-25(17-33-29)30-22(3)36-37-38(30)4)40(32(26)35-28)31(23-8-6-5-7-9-23)24-12-14-41-15-13-24/h5-11,16-17,20-21,24,31,34H,12-15,18-19H2,1-4H3/t20-,21+,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331441 (2-{10-Fluoro-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tr...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ncc21)C(C)(C)O |r| Show InChI InChI=1S/C29H31FN6O2/c1-17-25(35(4)34-33-17)20-14-22-24(31-15-20)21-16-32-28(29(2,3)37)23(30)27(21)36(22)26(18-8-6-5-7-9-18)19-10-12-38-13-11-19/h5-9,14-16,19,26,37H,10-13H2,1-4H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331446 (5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-methoxy-13-m...) Show SMILES COc1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2c(C)n1)-c1c(C)nnn1C |r| Show InChI InChI=1S/C28H30N6O2/c1-17-25-22(15-24(30-17)35-4)34(28(19-8-6-5-7-9-19)20-10-12-36-13-11-20)23-14-21(16-29-26(23)25)27-18(2)31-32-33(27)3/h5-9,14-16,20,28H,10-13H2,1-4H3/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331447 (2-{5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ncc21)C(C)(C)O |r| Show InChI InChI=1S/C29H32N6O2/c1-18-27(34(4)33-32-18)21-14-24-26(31-16-21)22-17-30-25(29(2,3)36)15-23(22)35(24)28(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-17,20,28,36H,10-13H2,1-4H3/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331451 (11-(Cyclopropylmethoxy)-5-[4-(2H3)methyl-1-methyl-...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(OCC3CC3)ncc21 |r| Show InChI InChI=1S/C30H32N6O2/c1-19-29(35(2)34-33-19)23-14-26-28(32-16-23)24-17-31-27(38-18-20-8-9-20)15-25(24)36(26)30(21-6-4-3-5-7-21)22-10-12-37-13-11-22/h3-7,14-17,20,22,30H,8-13,18H2,1-2H3/t30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] (Homo sapiens (Human))	BDBM331505 (2-{8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-13-m...) Show SMILES COc1nc(cc2n(C(C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)n[nH]n1C)C(C)(C)O Show InChI InChI=1S/C31H34F2N6O2/c1-18-27(38(4)37-36-18)21-15-23-26(34-17-21)25-22(16-24(30(2,3)40)35-29(25)41-5)39(23)28(19-9-7-6-8-10-19)20-11-13-31(32,33)14-12-20/h6-10,15-17,20,28,40H,11-14H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...				US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297144 (2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-methoxy-5-...) Show SMILES COc1cc(cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-25-28(32-18-22)27-24(16-23(31(2,3)37)17-26(27)38-5)36(25)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair

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