Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50006562   

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
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50260529 (CHEMBL4077626) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239363 (CHEMBL4094351) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:26| Show InChI InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50602185 (CHEMBL5184651) Show SMILES CN1CCN2[C@H](C1)COCCOc1cc(Nc3nc2nc(F)c3Cl)cc2CCC(=O)N(C)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239362 (CHEMBL4064865) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391222 (CHEMBL5286830) Show SMILES Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1 Show InChI InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239385 (CHEMBL4092565) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239369 (CHEMBL4100303) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5C)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230693 (CHEMBL5269254) Show SMILES CCCN(CCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C28H38N4O2/c1-3-16-30(17-4-2)18-13-22-14-19-31(20-15-22)21-27(33)32-25-11-7-5-9-23(25)28(34)29-24-10-6-8-12-26(24)32/h5-12,22H,3-4,13-21H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391220 (CHEMBL5277976) Show SMILES Cc1nc(N)nc(N)c1Cc1ccccc1 Show InChI InChI=1S/C12H14N4/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391221 (CHEMBL5273385) Show SMILES Cc1nc(N)nc(N)c1CCc1ccccc1 Show InChI InChI=1S/C13H16N4/c1-9-11(12(14)17-13(15)16-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239369 (CHEMBL4100303) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5C)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230700 (CHEMBL4075278) Show SMILES CCCCN(CCCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C30H42N4O2/c1-3-5-18-32(19-6-4-2)20-15-24-16-21-33(22-17-24)23-29(35)34-27-13-9-7-11-25(27)30(36)31-26-12-8-10-14-28(26)34/h7-14,24H,3-6,15-23H2,1-2H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239385 (CHEMBL4092565) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50602186 (CHEMBL5207356) Show SMILES CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N4CCN(C[C@@H]4COCCOc(c3)c12)C(=O)CCC(=O)NCCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230699 (CHEMBL4076344) Show SMILES CCCCN(CCCC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C30H42N4O2/c1-3-5-19-32(20-6-4-2)22-18-24-13-11-12-21-33(24)23-29(35)34-27-16-9-7-14-25(27)30(36)31-26-15-8-10-17-28(26)34/h7-10,14-17,24H,3-6,11-13,18-23H2,1-2H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50541994 (CHEMBL4646073) Show SMILES CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(c4)S(F)(=O)=O)ncc3Cl)cc(OC)c2n(C)c1=O Show InChI InChI=1S/C25H24ClFN6O6S/c1-28-21(34)13-39-20-9-15-8-16(10-19(38-3)22(15)33(2)24(20)35)31-23-18(26)12-30-25(32-23)29-11-14-5-4-6-17(7-14)40(27,36)37/h4-10,12H,11,13H2,1-3H3,(H,28,34)(H2,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239362 (CHEMBL4064865) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50541993 (CHEMBL4640734) Show SMILES FS(=O)(=O)c1cccc(CNc2ncc(Cl)c(Nc3ccc4NC(=O)Cc4c3)n2)c1 Show InChI InChI=1S/C19H15ClFN5O3S/c20-15-10-23-19(22-9-11-2-1-3-14(6-11)30(21,28)29)26-18(15)24-13-4-5-16-12(7-13)8-17(27)25-16/h1-7,10H,8-9H2,(H,25,27)(H2,22,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230692 (CHEMBL5287879) Show SMILES CCCN(CCC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C28H38N4O2/c1-3-17-30(18-4-2)20-16-22-11-9-10-19-31(22)21-27(33)32-25-14-7-5-12-23(25)28(34)29-24-13-6-8-15-26(24)32/h5-8,12-15,22H,3-4,9-11,16-21H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50508949 (CHEMBL4061857) Show SMILES OC(=O)C[C@@H]1CCCN1c1cc(Nc2ccc3NC(=O)CCc3c2)n2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C22H21N7O3/c23-11-14-12-24-29-19(25-15-4-5-17-13(8-15)3-6-20(30)26-17)10-18(27-22(14)29)28-7-1-2-16(28)9-21(31)32/h4-5,8,10,12,16,25H,1-3,6-7,9H2,(H,26,30)(H,31,32)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50541995 (CHEMBL4644523) Show SMILES CNC(=O)COc1cc2cc(Nc3nc(NCc4cccc(c4)S(C)(=O)=O)ncc3Cl)cc(OC)c2n(C)c1=O Show InChI InChI=1S/C26H27ClN6O6S/c1-28-22(34)14-39-21-10-16-9-17(11-20(38-3)23(16)33(2)25(21)35)31-24-19(27)13-30-26(32-24)29-12-15-6-5-7-18(8-15)40(4,36)37/h5-11,13H,12,14H2,1-4H3,(H,28,34)(H2,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50508943 (CHEMBL4077836) Show SMILES OC[C@@H]1CCCN1c1cc(Nc2ccc3NC(=O)CCc3c2)n2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C21H21N7O2/c22-10-14-11-23-28-19(9-18(26-21(14)28)27-7-1-2-16(27)12-29)24-15-4-5-17-13(8-15)3-6-20(30)25-17/h4-5,8-9,11,16,24,29H,1-3,6-7,12H2,(H,25,30)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511632 (CHEMBL4445645) Show SMILES C[C@H]1CN(C[C@@H](C)C1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r| Show InChI InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha 3 (Homo sapiens)	BDBM50239363 (CHEMBL4094351) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:26| Show InChI InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511642 (CHEMBL4547183) Show SMILES C[C@H]1C[C@@H](C)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r| Show InChI InChI=1S/C24H33ClN6O2/c1-15-10-16(2)14-30(13-15)22-26-12-18(25)21(28-22)27-17-6-7-19-20(11-17)31(23(32)29(19)5)9-8-24(3,4)33/h6-7,11-12,15-16,33H,8-10,13-14H2,1-5H3,(H,26,27,28)/t15-,16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511652 (CHEMBL4572689) Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2n(CCC(C)(C)O)c1=O Show InChI InChI=1S/C19H20ClN5O2/c1-19(2,27)7-9-25-16-10-12(4-5-15(16)24(3)18(25)26)23-14-6-8-22-17(20)13(14)11-21/h4-6,8,10,27H,7,9H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239363 (CHEMBL4094351) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:26| Show InChI InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230696 (CHEMBL5277214) Show SMILES CC(C)CN(CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(C)C Show InChI InChI=1S/C30H42N4O2/c1-22(2)19-32(20-23(3)4)18-16-24-11-9-10-17-33(24)21-29(35)34-27-14-7-5-12-25(27)30(36)31-26-13-6-8-15-28(26)34/h5-8,12-15,22-24H,9-11,16-21H2,1-4H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description The compound was evaluated for the antagonistic activity against beta-1 adrenergic receptor				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391221 (CHEMBL5273385) Show SMILES Cc1nc(N)nc(N)c1CCc1ccccc1 Show InChI InChI=1S/C13H16N4/c1-9-11(12(14)17-13(15)16-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511612 (CHEMBL4542555) Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2n(C)c1=O Show InChI InChI=1S/C15H12ClN5O/c1-20-12-4-3-9(7-13(12)21(2)15(20)22)19-11-5-6-18-14(16)10(11)8-17/h3-7H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391220 (CHEMBL5277976) Show SMILES Cc1nc(N)nc(N)c1Cc1ccccc1 Show InChI InChI=1S/C12H14N4/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor was measured by the inhibition of the positive chronotropic effectof isoproterenolin ...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50602186 (CHEMBL5207356) Show SMILES CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N4CCN(C[C@@H]4COCCOc(c3)c12)C(=O)CCC(=O)NCCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha 3 (Homo sapiens)	BDBM50239362 (CHEMBL4064865) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha 3 (Homo sapiens)	BDBM50239369 (CHEMBL4100303) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5C)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha 3 (Homo sapiens)	BDBM50239385 (CHEMBL4092565) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511612 (CHEMBL4542555) Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2n(C)c1=O Show InChI InChI=1S/C15H12ClN5O/c1-20-12-4-3-9(7-13(12)21(2)15(20)22)19-11-5-6-18-14(16)10(11)8-17/h3-7H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50546199 (CHEMBL4751268) Show SMILES Cc1cc(C)n(n1)-c1ncc(Cl)c(Nc2ccc(Cl)cc2)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50382931 (CHEMBL4065661) Show SMILES CCN(c1ccc(cn1)C(O)=O)c1cc(OCC(C)C)c(cc1\C=C\c1ccccc1)C(C)C Show InChI InChI=1S/C29H34N2O3/c1-6-31(28-15-14-24(18-30-28)29(32)33)26-17-27(34-19-20(2)3)25(21(4)5)16-23(26)13-12-22-10-8-7-9-11-22/h7-18,20-21H,6,19H2,1-5H3,(H,32,33)/b13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511647 (CHEMBL4581204) Show SMILES Cn1c2ccc(Nc3cc(SCc4ccccc4)ncn3)cc2n(C)c1=O Show InChI InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511633 (CHEMBL4471490) Show SMILES Cn1c2ccc(Nc3ncccc3C#N)cc2n(C)c1=O Show InChI InChI=1S/C15H13N5O/c1-19-12-6-5-11(8-13(12)20(2)15(19)21)18-14-10(9-16)4-3-7-17-14/h3-8H,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511649 (CHEMBL1727323) Show SMILES Clc1nccc(NCc2ccccc2)c1C#N Show InChI InChI=1S/C13H10ClN3/c14-13-11(8-15)12(6-7-16-13)17-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230695 (CHEMBL5275452) Show SMILES CN(C)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C26H34N4O2/c1-28(2)16-8-7-9-20-14-17-29(18-15-20)19-25(31)30-23-12-5-3-10-21(23)26(32)27-22-11-4-6-13-24(22)30/h3-6,10-13,20H,7-9,14-19H2,1-2H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description The compound was evaluated for the antagonistic activity against beta-1 adrenergic receptor.				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50511611 (CHEMBL4464160) Show SMILES Clc1nccc(NCC2CC2)c1C#N Show InChI InChI=1S/C10H10ClN3/c11-10-8(5-12)9(3-4-13-10)14-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230697 (CHEMBL5270561) Show SMILES CN(C)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)14-11-18-12-15-27(16-13-18)17-23(29)28-21-9-5-3-7-19(21)24(30)25-20-8-4-6-10-22(20)28/h3-10,18H,11-17H2,1-2H3,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description The compound was evaluated for the antagonistic activity against beta-1 adrenergic receptor.				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50602184 (CHEMBL1721570) Show SMILES Nc1ncnc(Nc2ccccc2Cl)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230698 (CHEMBL5267389) Show SMILES CCN(CC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C26H34N4O2/c1-3-28(4-2)16-13-20-14-17-29(18-15-20)19-25(31)30-23-11-7-5-9-21(23)26(32)27-22-10-6-8-12-24(22)30/h5-12,20H,3-4,13-19H2,1-2H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50266782 (Amanozine | Amenozine) Show SMILES Nc1ncnc(Nc2ccccc2)n1 Show InChI InChI=1S/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50260529 (CHEMBL4077626) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50292588 (CHEMBL4071527) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(O)C(F)(F)F Show InChI InChI=1S/C30H46F3N3O5/c1-19(2)16-23(26(38)34-22(25(37)30(31,32)33)17-20-12-8-6-9-13-20)35-27(39)24(18-21-14-10-7-11-15-21)36-28(40)41-29(3,4)5/h7,10-11,14-15,19-20,22-25,37H,6,8-9,12-13,16-18H2,1-5H3,(H,34,38)(H,35,39)(H,36,40)/t22?,23-,24-,25?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6.90E+5	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50508949 (CHEMBL4061857) Show SMILES OC(=O)C[C@@H]1CCCN1c1cc(Nc2ccc3NC(=O)CCc3c2)n2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C22H21N7O3/c23-11-14-12-24-29-19(25-15-4-5-17-13(8-15)3-6-20(30)26-17)10-18(27-22(14)29)28-7-1-2-16(28)9-21(31)32/h4-5,8,10,12,16,25H,1-3,6-7,9H2,(H,26,30)(H,31,32)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)

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