Compile Data Set for Download or QSAR

Found 369 hits with Last Name = 'qin' and Initial = 'c'   

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
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50520653 (CHEMBL4555209) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD2 BD1 (72 to 205 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520669 (CHEMBL4544682) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cccnc1 Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(12-17-6-3-2-4-7-17)21(29-23(20)27(16)22)10-9-18-8-5-11-24-13-18/h2-8,11,13H,12,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520653 (CHEMBL4555209) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50520653 (CHEMBL4555209) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD3 BD1 (24 to 144 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520667 (CHEMBL4463778) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1ccccn1 Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(13-17-7-3-2-4-8-17)21(29-23(20)27(16)22)11-10-18-9-5-6-12-24-18/h2-9,12H,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520658 (CHEMBL4452894) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CC1 Show InChI InChI=1S/C21H19N3OS/c1-14-22-23-20-13-25-12-18-17(11-16-5-3-2-4-6-16)19(10-9-15-7-8-15)26-21(18)24(14)20/h2-6,15H,7-8,11-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520649 (CHEMBL4532913) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1ccncc1 Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(13-18-5-3-2-4-6-18)21(29-23(20)27(16)22)8-7-17-9-11-24-12-10-17/h2-6,9-12H,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072769 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50520653 (CHEMBL4555209) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD3 BD2 (306 to 417 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50520653 (CHEMBL4555209) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD2 BD2 (349 to 460 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072757 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCF Show InChI InChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520665 (CHEMBL4458148) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCC1 Show InChI InChI=1S/C22H21N3OS/c1-15-23-24-21-14-26-13-19-18(12-17-6-3-2-4-7-17)20(27-22(19)25(15)21)11-10-16-8-5-9-16/h2-4,6-7,16H,5,8-9,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520661 (CHEMBL4441402) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCOCC1 Show InChI InChI=1S/C23H23N3O2S/c1-16-24-25-22-15-28-14-20-19(13-18-5-3-2-4-6-18)21(29-23(20)26(16)22)8-7-17-9-11-27-12-10-17/h2-6,17H,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072763 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid al...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC=C Show InChI InChI=1S/C23H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h4,8-9,11-12,14-15,17-18H,2-3,5-7,10,13,16,19-22H2,1H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072764 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid pr...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC#C Show InChI InChI=1S/C23H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h2,8-9,11-12,14-15,17-18H,3,5-7,10,13,16,19-22H2,1H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520668 (CHEMBL4464152) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CCCO Show InChI InChI=1S/C20H19N3O2S/c1-14-21-22-19-13-25-12-17-16(11-15-7-3-2-4-8-15)18(9-5-6-10-24)26-20(17)23(14)19/h2-4,7-8,24H,6,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520650 (CHEMBL4440466) Show SMILES CC(C)C#Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C21H21N3OS/c1-14(2)9-10-19-17(11-16-7-5-4-6-8-16)18-12-25-13-20-23-22-15(3)24(20)21(18)26-19/h4-8,14H,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520651 (CHEMBL4556533) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cncn1C Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-13-28-12-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-14-26(17)2/h3-7,11,14H,10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50054472 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r| Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520653 (CHEMBL4555209) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD2 (333 to 460 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520666 (CHEMBL4439187) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCCC1 Show InChI InChI=1S/C23H23N3OS/c1-16-24-25-22-15-27-14-20-19(13-18-9-3-2-4-10-18)21(28-23(20)26(16)22)12-11-17-7-5-6-8-17/h2-4,9-10,17H,5-8,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50054472 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r| Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50060622 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072772 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (3...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCCl Show InChI InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072757 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCF Show InChI InChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520660 (CHEMBL4536208) Show SMILES CN1CCC(CC1)C#Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C24H26N4OS/c1-17-25-26-23-16-29-15-21-20(14-19-6-4-3-5-7-19)22(30-24(21)28(17)23)9-8-18-10-12-27(2)13-11-18/h3-7,18H,10-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50054472 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r| Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the absence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520652 (CHEMBL4562288) Show SMILES Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50060622 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072756 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(F)(F)F Show InChI InChI=1S/C22H34F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27)26-20-22(23,24)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50056491 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid te...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)(C)C Show InChI InChI=1S/C24H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(26)25-24(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50056491 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid te...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)(C)C Show InChI InChI=1S/C24H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(26)25-24(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520670 (CHEMBL4459071) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCCCC1 Show InChI InChI=1S/C24H25N3OS/c1-17-25-26-23-16-28-15-21-20(14-19-10-6-3-7-11-19)22(29-24(21)27(17)23)13-12-18-8-4-2-5-9-18/h3,6-7,10-11,18H,2,4-5,8-9,14-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520659 (CHEMBL4544722) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCNCC1 Show InChI InChI=1S/C23H24N4OS/c1-16-25-26-22-15-28-14-20-19(13-18-5-3-2-4-6-18)21(29-23(20)27(16)22)8-7-17-9-11-24-12-10-17/h2-6,17,24H,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520648 (CHEMBL4541865) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC(C)(C)C Show InChI InChI=1S/C22H23N3OS/c1-15-23-24-20-14-26-13-18-17(12-16-8-6-5-7-9-16)19(10-11-22(2,3)4)27-21(18)25(15)20/h5-9H,12-14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520656 (CHEMBL4449965) Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#C Show InChI InChI=1S/C18H15N3OS/c1-3-16-14(9-13-7-5-4-6-8-13)15-10-22-11-17-20-19-12(2)21(17)18(15)23-16/h1,4-8H,9-11H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50056464 ((5Z,8Z,11Z,14Z)-2,2-Dimethyl-icosa-5,8,11,14-tetra...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)NCCO Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(27)25-21-22-26/h8-9,11-12,14-15,17-18,26H,4-7,10,13,16,19-22H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	72.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072766 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CC Show InChI InChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(3)5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072766 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CC Show InChI InChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(3)5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50056478 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (R...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)CC Show InChI InChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(3)5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072759 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid is...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(C)C Show InChI InChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H,25,26)/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072759 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid is...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(C)C Show InChI InChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H,25,26)/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50520657 (CHEMBL4435128) Show SMILES CN(C)CC#Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C21H22N4OS/c1-15-22-23-20-14-26-13-18-17(12-16-8-5-4-6-9-16)19(10-7-11-24(2)3)27-21(18)25(15)20/h4-6,8-9H,11-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay				J Med Chem 61: 6685-6704 (2018) Article DOI: 10.1021/acs.jmedchem.8b00506 BindingDB Entry DOI: 10.7270/Q27S7S54
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072759 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid is...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(C)C Show InChI InChI=1S/C24H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H,25,26)/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the absence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50056491 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid te...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC(C)(C)C Show InChI InChI=1S/C24H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(26)25-24(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the absence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50060622 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the absence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]...				J Med Chem 41: 5353-61 (1999) Article DOI: 10.1021/jm970257g BindingDB Entry DOI: 10.7270/Q2ZS2VNV
					More data for this Ligand-Target Pair

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