Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'ahmed' and Initial = 'sz'   

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
Type-1 angiotensin II receptor B (RAT)	BDBM50004154 (2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...) Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(O)=O |c:7,t:4| Show InChI InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004155 (2-Butyl-6-chloro-4,4-dimethyl-1-[2'-(1H-tetrazol-5...) Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,14| Show InChI InChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2)24(28)34(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-30-32-33-31-25/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004164 (2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...) Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(=O)OCC |c:7,t:4| Show InChI InChI=1S/C26H28ClN6O2/c1-4-6-11-22-28-24(27)23(26(34)35-5-2)17(3)33(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25-29-31-32-30-25/h7-10,12-15,17H,4-6,11,16H2,1-3H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50406795 (Cozaar | LOSARTAN POTASSIUM) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004153 (2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4-chlor...) Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC |c:7,t:4| Show InChI InChI=1S/C26H29ClN2O4/c1-4-6-11-22-28-24(27)23(26(32)33-5-2)17(3)29(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Homo sapiens (Human))	BDBM50281270 (Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-8-me...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O Show InChI InChI=1S/C23H28N2O5S/c1-15(26)30-21-22(16-6-8-17(28-4)9-7-16)31-20-14-18(29-5)10-11-19(20)25(23(21)27)13-12-24(2)3/h6-11,14,21-22H,12-13H2,1-5H3/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle				Bioorg Med Chem Lett 3: 2797-2800 (1993) Article DOI: 10.1016/S0960-894X(01)80767-8 BindingDB Entry DOI: 10.7270/Q2FN164V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004160 (CHEMBL145036 | Sodium; 4'-(2-butyl-6-chloro-5-etho...) Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1C([O-])=O |t:4,14| Show InChI InChI=1S/C27H31ClN2O4/c1-5-7-12-22-29-27(3,4)23(26(33)34-6-2)24(28)30(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25(31)32/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,31,32)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004163 (CHEMBL342287 | Sodium; 4'-(2-butyl-5-ethoxycarbony...) Show SMILES CCCCc1ncc(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O Show InChI InChI=1S/C25H26N2O5/c1-3-5-10-22-26-15-21(25(31)32-4-2)23(28)27(22)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(29)30/h6-9,11-15H,3-5,10,16H2,1-2H3,(H,29,30)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Homo sapiens (Human))	BDBM50281272 ((2R,3S)-5-(2-Dimethylamino-ethyl)-8-methoxy-2-(4-m...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1C Show InChI InChI=1S/C22H28N2O3S/c1-15-21(16-6-8-17(26-4)9-7-16)28-20-14-18(27-5)10-11-19(20)24(22(15)25)13-12-23(2)3/h6-11,14-15,21H,12-13H2,1-5H3/t15-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle				Bioorg Med Chem Lett 3: 2797-2800 (1993) Article DOI: 10.1016/S0960-894X(01)80767-8 BindingDB Entry DOI: 10.7270/Q2FN164V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM82258 (CAS_114798-26-4 | Losartan | NSC_3961) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004162 (CHEMBL145276 | Sodium; 4'-(2-butyl-5-ethoxycarbony...) Show SMILES CCCCc1nc(C)c(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O Show InChI InChI=1S/C26H28N2O5/c1-4-6-11-22-27-17(3)23(26(32)33-5-2)24(29)28(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004156 (2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4-(4-ch...) Show SMILES CCCCC1=NC(=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC)c1ccc(Cl)cc1 |c:6,t:4| Show InChI InChI=1S/C32H33ClN2O4/c1-4-6-11-28-34-30(24-16-18-25(33)19-17-24)29(32(38)39-5-2)21(3)35(28)20-22-12-14-23(15-13-22)26-9-7-8-10-27(26)31(36)37/h7-10,12-19,21H,4-6,11,20H2,1-3H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle				Bioorg Med Chem Lett 3: 2797-2800 (1993) Article DOI: 10.1016/S0960-894X(01)80767-8 BindingDB Entry DOI: 10.7270/Q2FN164V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S (Homo sapiens (Human))	BDBM50281271 ((2R,3S)-5-(2-Dimethylamino-ethyl)-2-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C Show InChI InChI=1S/C21H26N2O2S/c1-15-20(16-9-11-17(25-4)12-10-16)26-19-8-6-5-7-18(19)23(21(15)24)14-13-22(2)3/h5-12,15,20H,13-14H2,1-4H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle				Bioorg Med Chem Lett 3: 2797-2800 (1993) Article DOI: 10.1016/S0960-894X(01)80767-8 BindingDB Entry DOI: 10.7270/Q2FN164V
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Homo sapiens (Human))	BDBM50000383 ((3R,4R)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phe...) Show SMILES COc1ccc(cc1)[C@@H]1Cc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C Show InChI InChI=1S/C22H28N2O2/c1-16-20(17-9-11-19(26-4)12-10-17)15-18-7-5-6-8-21(18)24(22(16)25)14-13-23(2)3/h5-12,16,20H,13-15H2,1-4H3/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle				Bioorg Med Chem Lett 3: 2797-2800 (1993) Article DOI: 10.1016/S0960-894X(01)80767-8 BindingDB Entry DOI: 10.7270/Q2FN164V
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004157 (2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-6-methy...) Show SMILES CCCCC1=NC(=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC)c1ccccc1 |c:6,t:4| Show InChI InChI=1S/C32H34N2O4/c1-4-6-16-28-33-30(25-12-8-7-9-13-25)29(32(37)38-5-2)22(3)34(28)21-23-17-19-24(20-18-23)26-14-10-11-15-27(26)31(35)36/h7-15,17-20,22H,4-6,16,21H2,1-3H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004158 (2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4,6-dim...) Show SMILES CCCCC1=NC(C)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC |c:7,t:4| Show InChI InChI=1S/C27H32N2O4/c1-5-7-12-24-28-18(3)25(27(32)33-6-2)19(4)29(24)17-20-13-15-21(16-14-20)22-10-8-9-11-23(22)26(30)31/h8-11,13-16,19H,5-7,12,17H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004159 (CHEMBL343622 | Sodium; 4'-(2-butyl-4-chloro-5-etho...) Show SMILES CCCCC1=NC(Cl)=C(C(N1Cc1ccc(cc1)-c1ccccc1C([O-])=O)c1ccccc1)C(=O)OCC |c:7,t:4| Show InChI InChI=1S/C31H31ClN2O4/c1-3-5-15-26-33-29(32)27(31(37)38-4-2)28(23-11-7-6-8-12-23)34(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)30(35)36/h6-14,16-19,28H,3-5,15,20H2,1-2H3,(H,35,36)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50004165 (CHEMBL144952 | Sodium; 4'-(2-butyl-5-ethoxycarbony...) Show SMILES CCCCc1nc(-c2ccccc2)c(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O Show InChI InChI=1S/C31H30N2O5/c1-3-5-15-26-32-28(23-11-7-6-8-12-23)27(31(37)38-4-2)29(34)33(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)30(35)36/h6-14,16-19H,3-5,15,20H2,1-2H3,(H,35,36)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor				J Med Chem 35: 4751-63 (1993) BindingDB Entry DOI: 10.7270/Q2VH5PFJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5668 (2-amino-5-thio-substituted thiazole 45 | BMS-38703...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1 Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5924 (BMS-387032 analog 14 | N-(5-{[(5-tert-butyl-1,3-ox...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1 Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5660 (2-amino-5-thio-substituted thiazole 25 | 2-aminoth...) Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5930 (BMS-387032 analog 20 | N-(5-{[(5-tert-butyl-1,3-ox...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCNCC3)s2)o1 Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)8-12-4-6-19-7-5-12/h9-10,12,19H,4-8,11H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5934 (BMS-387032 analog 24 | N-(5-{[(5-tert-butyl-1,3-ox...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)s2)o1 Show InChI InChI=1S/C18H26N4O4S3/c1-18(2,3)13-9-19-14(26-13)11-27-15-10-20-17(28-15)21-16(23)12-5-7-22(8-6-12)29(4,24)25/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5923 (3-amino-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methy...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)CCN)s2)o1 Show InChI InChI=1S/C14H20N4O2S2/c1-14(2,3)9-6-16-11(20-9)8-21-12-7-17-13(22-12)18-10(19)4-5-15/h6-7H,4-5,8,15H2,1-3H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5936 (4-amino-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methy...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wU:17.16,20.20,(-8.93,3.23,;-7.79,4.26,;-8.11,5.77,;-9.25,4.74,;-6.32,3.79,;-5.85,2.32,;-4.3,2.32,;-3.83,3.79,;-2.36,4.26,;-1.22,3.23,;.24,3.71,;.72,5.17,;2.26,5.17,;2.74,3.71,;4.2,3.23,;5.53,4,;5.53,5.54,;6.87,3.23,;6.87,1.69,;8.2,.92,;9.54,1.69,;10.87,.92,;9.54,3.23,;8.2,4,;1.49,2.8,;-5.07,4.69,)| Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-8-20-14(24-13)10-25-15-9-21-17(26-15)22-16(23)11-4-6-12(19)7-5-11/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,21,22,23)/t11-,12+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5683 (2-amino-5-thio-substituted thiazole 31 | BMS-38703...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1 Show InChI InChI=1S/C18H19N3O2S2/c1-18(2,3)13-9-19-14(23-13)11-24-15-10-20-17(25-15)21-16(22)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5932 (1-Methyl-N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]...) Show SMILES CN1CCC(CC1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-9-19-14(24-13)11-25-15-10-20-17(26-15)21-16(23)12-5-7-22(4)8-6-12/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5926 (BMS-387032 analog 16 | N-(5-{[(5-tert-butyl-1,3-ox...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCCCC3)s2)o1 Show InChI InChI=1S/C19H27N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h10-11,13H,4-9,12H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5928 ((+/-)-N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]met...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN3)s2)o1 Show InChI InChI=1S/C16H22N4O2S2/c1-16(2,3)11-7-18-12(22-11)9-23-13-8-19-15(24-13)20-14(21)10-5-4-6-17-10/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5933 (BMS-387032 analog 23 | N-(5-{[(5-tert-butyl-1,3-ox...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCO)CC3)s2)o1 Show InChI InChI=1S/C19H28N4O3S2/c1-19(2,3)14-10-20-15(26-14)12-27-16-11-21-18(28-16)22-17(25)13-4-6-23(7-5-13)8-9-24/h10-11,13,24H,4-9,12H2,1-3H3,(H,21,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5929 ((+/-)-N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]met...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-5-4-6-18-7-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5937 (4-amino-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methy...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:17.16,wD:20.20,(-8.93,3.23,;-7.79,4.26,;-8.11,5.77,;-9.25,4.74,;-6.32,3.79,;-5.85,2.32,;-4.3,2.32,;-3.83,3.79,;-2.36,4.26,;-1.22,3.23,;.24,3.71,;.72,5.17,;2.26,5.17,;2.74,3.71,;4.2,3.23,;5.53,4,;5.53,5.54,;6.87,3.23,;8.2,4,;9.54,3.23,;9.54,1.69,;10.87,.92,;8.2,.92,;6.87,1.69,;1.49,2.8,;-5.07,4.69,)| Show InChI InChI=1S/C18H26N4O2S2/c1-18(2,3)13-8-20-14(24-13)10-25-15-9-21-17(26-15)22-16(23)11-4-6-12(19)7-5-11/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,21,22,23)/t11-,12-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5935 (BMS-387032 analog 25 | N-[5-[[[5-(1,1-Dimethylethy...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C22H32N4O4S2/c1-21(2,3)15-11-23-16(29-15)13-31-17-12-24-19(32-17)25-18(27)14-7-9-26(10-8-14)20(28)30-22(4,5)6/h11-12,14H,7-10,13H2,1-6H3,(H,24,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5927 (BMS-387032 analog 17 | N-(5-{[(5-tert-butyl-1,3-ox...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCCC3)s2)o1 Show InChI InChI=1S/C18H25N3O2S2/c1-18(2,3)13-9-19-14(23-13)11-24-15-10-20-17(25-15)21-16(22)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair