Compile Data Set for Download or QSAR

Found 432 hits with Last Name = 'zeng' and Initial = 'm'   

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
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50347819 (CHEMBL1802414 | P550) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C126H195N37O37/c1-65(2)49-83(155-122(199)94-35-24-48-163(94)98(174)59-142-107(184)89(60-164)157-103(180)68(7)128)106(183)141-58-97(173)162-101(70(9)169)123(200)156-84(50-66(3)4)113(190)143-69(8)104(181)145-80(40-42-99(175)176)111(188)150-81(41-43-100(177)178)112(189)152-85(51-67(5)6)114(191)158-93(64-168)121(198)161-92(63-167)120(197)154-88(55-74-36-38-75(170)39-37-74)117(194)160-90(61-165)118(195)149-78(33-22-46-137-125(132)133)109(186)147-77(32-21-45-136-124(130)131)108(185)146-76(31-19-20-44-127)105(182)140-56-95(171)139-57-96(172)144-86(53-72-27-15-11-16-28-72)115(192)159-91(62-166)119(196)153-87(54-73-29-17-12-18-30-73)116(193)148-79(34-23-47-138-126(134)135)110(187)151-82(102(129)179)52-71-25-13-10-14-26-71/h10-18,25-30,36-39,65-70,76-94,101,164-170H,19-24,31-35,40-64,127-128H2,1-9H3,(H2,129,179)(H,139,171)(H,140,182)(H,141,183)(H,142,184)(H,143,190)(H,144,172)(H,145,181)(H,146,185)(H,147,186)(H,148,193)(H,149,195)(H,150,188)(H,151,187)(H,152,189)(H,153,196)(H,154,197)(H,155,199)(H,156,200)(H,157,180)(H,158,191)(H,159,192)(H,160,194)(H,161,198)(H,162,173)(H,175,176)(H,177,178)(H4,130,131,136)(H4,132,133,137)(H4,134,135,138)/t68-,69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM50347818 (CHEMBL1802413 | P518) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C127H195N37O37/c1-66(2)49-83(160-124(200)94-35-24-48-164(94)101(176)62-144-110(186)91(63-165)163-125(201)104(132)70(8)168)108(184)142-61-100(175)148-90(57-96(131)171)121(197)157-84(50-67(3)4)116(192)145-69(7)106(182)149-80(40-42-102(177)178)114(190)154-81(41-43-103(179)180)115(191)156-85(51-68(5)6)117(193)159-89(56-95(130)170)109(185)143-60-99(174)147-87(55-74-36-38-75(169)39-37-74)119(195)161-92(64-166)122(198)153-78(33-22-46-138-126(134)135)112(188)151-77(32-19-21-45-129)111(187)150-76(31-18-20-44-128)107(183)141-58-97(172)140-59-98(173)146-86(53-72-27-14-10-15-28-72)118(194)162-93(65-167)123(199)158-88(54-73-29-16-11-17-30-73)120(196)152-79(34-23-47-139-127(136)137)113(189)155-82(105(133)181)52-71-25-12-9-13-26-71/h9-17,25-30,36-39,66-70,76-94,104,165-169H,18-24,31-35,40-65,128-129,132H2,1-8H3,(H2,130,170)(H2,131,171)(H2,133,181)(H,140,172)(H,141,183)(H,142,184)(H,143,185)(H,144,186)(H,145,192)(H,146,173)(H,147,174)(H,148,175)(H,149,182)(H,150,187)(H,151,188)(H,152,196)(H,153,198)(H,154,190)(H,155,189)(H,156,191)(H,157,197)(H,158,199)(H,159,193)(H,160,200)(H,161,195)(H,162,194)(H,163,201)(H,177,178)(H,179,180)(H4,134,135,138)(H4,136,137,139)/t69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,104-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM86228 (P517) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C52H77N15O10/c53-24-12-10-21-36(55)46(72)63-37(22-11-13-25-54)47(73)61-30-43(69)60-31-44(70)62-40(28-34-17-6-2-7-18-34)49(75)67-42(32-68)51(77)66-41(29-35-19-8-3-9-20-35)50(76)64-38(23-14-26-59-52(57)58)48(74)65-39(45(56)71)27-33-15-4-1-5-16-33/h1-9,15-20,36-42,68H,10-14,21-32,53-55H2,(H2,56,71)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H4,57,58,59)/t36-,37-,38-,39?,40-,41-,42-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM86226 (P52) Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C40H53N11O8/c41-22-33(53)46-23-34(54)47-30(20-26-13-6-2-7-14-26)37(57)51-32(24-52)39(59)50-31(21-27-15-8-3-9-16-27)38(58)48-28(17-10-18-45-40(43)44)36(56)49-29(35(42)55)19-25-11-4-1-5-12-25/h1-9,11-16,28-32,52H,10,17-24,41H2,(H2,42,55)(H,46,53)(H,47,54)(H,48,58)(H,49,56)(H,50,59)(H,51,57)(H4,43,44,45)/t28-,29?,30-,31-,32-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM86224 (P513) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C46H65N13O9/c47-21-11-10-19-32(48)41(64)54-26-38(61)53-27-39(62)55-35(24-30-15-6-2-7-16-30)43(66)59-37(28-60)45(68)58-36(25-31-17-8-3-9-18-31)44(67)56-33(20-12-22-52-46(50)51)42(65)57-34(40(49)63)23-29-13-4-1-5-14-29/h1-9,13-18,32-37,60H,10-12,19-28,47-48H2,(H2,49,63)(H,53,61)(H,54,64)(H,55,62)(H,56,67)(H,57,65)(H,58,68)(H,59,66)(H4,50,51,52)/t32-,33-,34?,35-,36-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM86227 (P552) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O |r,wU:43.42,97.97,162.163,89.89,59.62,12.17,106.106,4.4,179.180,134.134,29.29,153.155,wD:21.25,113.113,34.39,168.169,190.192,74.74,8.8,123.123,50.56,143.143,65.67,(15.4,8.93,;15.4,7.34,;14.08,6.6,;12.74,7.37,;14.08,5.02,;12.7,4.28,;11.38,5.02,;11.38,6.6,;10.06,4.28,;8.69,5.02,;7.37,4.28,;7.37,2.69,;6.05,5.02,;6.05,6.6,;7.37,7.34,;7.37,8.93,;6.03,9.7,;8.7,9.7,;4.67,4.28,;3.35,5.02,;3.35,6.6,;1.98,4.28,;1.98,2.69,;.89,1.6,;-.65,1.6,;1.66,.27,;.66,5.02,;-.66,4.28,;-.66,2.69,;-2.03,5.02,;-2.03,6.56,;-3.35,4.28,;-4.73,5.02,;-4.73,6.6,;-6.05,4.28,;-6.05,2.69,;-4.73,1.95,;-4.73,.41,;-6.06,-.36,;-3.39,-.36,;-7.37,5.02,;-8.74,4.28,;-8.74,2.69,;-10.12,5.12,;-10.54,6.66,;-12.12,6.66,;-12.6,5.12,;-11.33,4.28,;-11.33,2.75,;-10.01,1.95,;-12.7,1.95,;-12.7,.41,;-11.22,.02,;-10.82,-1.47,;-11.59,-2.81,;-9.28,-1.47,;-14.02,2.75,;-15.34,2.01,;-15.34,.48,;-16.72,2.75,;-16.72,4.28,;-15.34,5.07,;-18.04,2.01,;-19.36,2.8,;-19.36,4.33,;-20.73,2.06,;-20.73,.48,;-22.05,2.8,;10.06,2.69,;8.73,1.92,;11.4,1.92,;15.4,4.28,;15.4,2.69,;16.77,5.02,;18.09,4.28,;18.09,2.69,;19.43,1.92,;19.43,.38,;18.09,-.39,;16.76,.38,;16.76,1.92,;15.42,-.39,;19.41,5.02,;19.41,6.6,;20.79,4.28,;22.11,5.02,;23.43,4.28,;24.8,5.02,;23.43,2.69,;24.8,1.95,;26.12,2.69,;27.48,1.96,;27.48,.42,;28.81,2.73,;24.8,.37,;26.12,-.37,;23.43,-.37,;23.43,-1.95,;24.8,-2.69,;26.14,-1.94,;27.48,-2.71,;28.81,-1.94,;27.48,-4.25,;22.11,-2.69,;20.79,-1.9,;22.11,-4.28,;20.79,-5.02,;20.79,-6.55,;19.41,-7.34,;22.12,-7.32,;19.41,-4.23,;19.41,-2.69,;18.09,-5.02,;16.77,-4.23,;16.77,-2.69,;15.4,-1.9,;15.4,-5.02,;15.4,-6.55,;14.08,-4.23,;12.7,-5.02,;11.38,-4.23,;11.38,-2.69,;10.06,-5.02,;8.69,-4.23,;8.69,-2.69,;10.06,-1.9,;10.06,-.37,;8.69,.42,;7.37,-.37,;6.05,.42,;7.37,-1.9,;7.37,-5.02,;7.37,-6.55,;6.05,-4.23,;4.67,-5.02,;4.67,-6.55,;6.05,-7.34,;6.05,-8.87,;4.67,-9.67,;7.38,-9.64,;3.35,-4.23,;3.35,-2.69,;1.98,-5.02,;.66,-4.23,;.66,-2.69,;-.67,-1.92,;-.2,-.45,;-1.44,.45,;-2.69,-.45,;-2.21,-1.92,;-.66,-5.02,;-.66,-6.55,;-2.03,-4.23,;-3.35,-5.02,;-3.35,-6.56,;-4.73,-4.23,;-4.73,-2.69,;-6.05,-5.02,;-7.37,-4.23,;-8.74,-5.02,;-8.74,-6.55,;-10.06,-4.23,;-11.38,-5.02,;-11.38,-6.55,;-12.72,-7.32,;-12.76,-4.23,;-12.76,-2.69,;-14.08,-5.02,;-15.45,-4.23,;-15.45,-2.69,;-16.77,-1.9,;-18.09,-2.64,;-19.18,-1.55,;-20.67,-1.15,;-21.76,-2.24,;-21.44,.18,;-16.77,-5.02,;-16.77,-6.55,;-18.09,-4.23,;-19.46,-5.02,;-19.46,-6.55,;-20.8,-7.32,;-22.13,-6.55,;-23.47,-7.32,;-23.47,-8.86,;-22.13,-9.63,;-20.8,-8.86,;-20.79,-4.23,;-20.79,-2.69,;-22.11,-5.02,;-23.48,-4.23,;-23.48,-2.69,;-24.8,-1.9,;-24.8,-.37,;-26.13,.4,;-27.47,-.37,;-28.8,.4,;-27.47,-1.91,;-24.8,-4.97,;-24.8,-6.55,;-26.17,-4.23,;-27.51,-5,;-27.51,-6.54,;-28.84,-7.31,;-30.17,-6.54,;-31.51,-7.31,;-31.51,-8.85,;-30.17,-9.62,;-28.84,-8.85,;-28.84,-4.23,;-30.17,-5,;-28.84,-2.69,)| Show InChI InChI=1S/C131H215N45O35S/c1-15-68(10)102(174-124(208)101(67(8)9)173-115(199)80(37-36-64(2)3)162-119(203)87(52-66(6)7)168-107(191)71(13)155-110(194)81(38-42-94(133)180)164-123(207)93-35-26-50-176(93)127(211)84(40-44-96(135)182)166-121(205)91(61-178)171-105(189)69(11)132)125(209)165-76(31-22-46-146-128(137)138)108(192)151-59-98(184)157-86(51-65(4)5)118(202)163-82(39-43-95(134)181)116(200)175-103(72(14)179)126(210)172-90(60-177)109(193)152-58-97(183)156-77(32-23-47-147-129(139)140)111(195)161-83(41-45-100(186)187)114(198)170-89(55-75-56-145-63-153-75)117(201)154-70(12)106(190)150-57-99(185)158-92(62-212)122(206)160-79(34-25-49-149-131(143)144)113(197)169-88(54-74-29-20-17-21-30-74)120(204)159-78(33-24-48-148-130(141)142)112(196)167-85(104(136)188)53-73-27-18-16-19-28-73/h16-21,27-30,56,63-72,76-93,101-103,177-179,212H,15,22-26,31-55,57-62,132H2,1-14H3,(H2,133,180)(H2,134,181)(H2,135,182)(H2,136,188)(H,145,153)(H,150,190)(H,151,192)(H,152,193)(H,154,201)(H,155,194)(H,156,183)(H,157,184)(H,158,185)(H,159,204)(H,160,206)(H,161,195)(H,162,203)(H,163,202)(H,164,207)(H,165,209)(H,166,205)(H,167,196)(H,168,191)(H,169,197)(H,170,198)(H,171,189)(H,172,210)(H,173,199)(H,174,208)(H,175,200)(H,186,187)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)(H4,143,144,149)/t68?,69-,70-,71-,72?,76-,77-,78-,79-,80-,81-,82-,83-,84-,85?,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	607	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM86225 (P51) Show SMILES C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O |r,wU:29.29,46.46,15.16,1.0,wD:35.35,57.58,5.12,(-3.35,-6.56,;-3.35,-5.02,;-2.03,-4.23,;-.66,-5.02,;-.66,-6.55,;.66,-4.23,;.66,-2.69,;-.67,-1.92,;-.2,-.45,;-1.44,.45,;-2.69,-.45,;-2.21,-1.92,;1.98,-5.02,;3.35,-4.23,;3.35,-2.69,;4.67,-5.02,;6.05,-4.23,;4.67,-6.55,;6.05,-7.34,;6.05,-8.87,;4.67,-9.67,;7.38,-9.64,;-4.73,-4.23,;-4.73,-2.69,;-6.05,-5.02,;-7.37,-4.23,;-8.74,-5.02,;-8.74,-6.55,;-10.06,-4.23,;-11.38,-5.02,;-11.38,-6.55,;-12.72,-7.32,;-12.76,-4.23,;-12.76,-2.69,;-14.08,-5.02,;-15.45,-4.23,;-15.45,-2.69,;-16.77,-1.9,;-16.77,-.36,;-18.1,.41,;-19.44,-.36,;-19.44,-1.9,;-20.53,.73,;-16.77,-5.02,;-16.77,-6.55,;-18.09,-4.23,;-19.46,-5.02,;-19.46,-6.55,;-20.8,-7.32,;-22.13,-6.55,;-23.47,-7.32,;-23.47,-8.86,;-22.13,-9.63,;-20.8,-8.86,;-20.79,-4.23,;-20.79,-2.69,;-22.11,-5.02,;-23.48,-4.23,;-23.48,-2.69,;-24.8,-1.9,;-24.8,-.37,;-26.13,.4,;-27.47,-.37,;-28.8,.4,;-27.47,-1.91,;-24.8,-4.97,;-24.8,-6.55,;-26.17,-4.23,;-27.51,-5,;-27.51,-6.54,;-28.84,-7.31,;-30.17,-6.54,;-31.51,-7.31,;-31.51,-8.85,;-30.17,-9.62,;-28.84,-8.85,;-28.84,-4.23,;-30.17,-5,;-28.84,-2.69,)| Show InChI InChI=1S/C49H72N18O11S/c1-27(61-45(76)36(22-30-23-56-26-60-30)66-42(73)31(50)16-17-39(69)70)41(72)59-24-38(68)62-37(25-79)47(78)64-33(15-9-19-58-49(54)55)44(75)67-35(21-29-12-6-3-7-13-29)46(77)63-32(14-8-18-57-48(52)53)43(74)65-34(40(51)71)20-28-10-4-2-5-11-28/h2-7,10-13,23,26-27,31-37,79H,8-9,14-22,24-25,50H2,1H3,(H2,51,71)(H,56,60)(H,59,72)(H,61,76)(H,62,68)(H,63,77)(H,64,78)(H,65,74)(H,66,73)(H,67,75)(H,69,70)(H4,52,53,57)(H4,54,55,58)/t27-,31-,32-,33-,34?,35-,36-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor (Homo sapiens (Human))	BDBM86229 (YGGFMRF-amide) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C42H57N11O8S/c1-62-20-18-32(40(60)51-31(13-8-19-47-42(45)46)39(59)53-33(37(44)57)22-26-9-4-2-5-10-26)52-41(61)34(23-27-11-6-3-7-12-27)50-36(56)25-48-35(55)24-49-38(58)30(43)21-28-14-16-29(54)17-15-28/h2-7,9-12,14-17,30-34,54H,8,13,18-25,43H2,1H3,(H2,44,57)(H,48,55)(H,49,58)(H,50,56)(H,51,60)(H,52,61)(H,53,59)(H4,45,46,47)/t30-,31-,32-,33?,34-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									J Biol Chem 278: 27652-7 (2003) Article DOI: 10.1074/jbc.M302945200 BindingDB Entry DOI: 10.7270/Q2ZK5F81
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK1 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK5 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK4 (unknown origin) expressed in Sf9 insect cells incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter met...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50139171 (Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...) Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50553495 (CHEMBL4786559) Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50578022 (CHEMBL4876497) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461533 (Emricasan | IDN-6556 | PF-03491390 | VAY-785 | VAY...) Show SMILES C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F Show InChI InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50578008 (CHEMBL4856767) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461525 (CHEMBL4228386) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C21H22F4N2O6/c22-12-7-13(23)18(25)19(17(12)24)33-9-15(28)14(8-16(29)30)26-20(31)10-3-5-27(6-4-10)21(32)11-1-2-11/h7,10-11,14H,1-6,8-9H2,(H,26,31)(H,29,30)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461502 (CHEMBL4224765) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H24F4N2O6/c23-13-8-14(24)19(26)20(18(13)25)34-10-16(29)15(9-17(30)31)27-21(32)11-4-6-28(7-5-11)22(33)12-2-1-3-12/h8,11-12,15H,1-7,9-10H2,(H,27,32)(H,30,31)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461503 (CHEMBL4225291) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C23H26F4N2O6/c24-14-9-15(25)20(27)21(19(14)26)35-11-17(30)16(10-18(31)32)28-22(33)12-5-7-29(8-6-12)23(34)13-3-1-2-4-13/h9,12-13,16H,1-8,10-11H2,(H,28,33)(H,31,32)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50578017 (CHEMBL4875272) Show SMILES Cc1n[nH]c2ncc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461528 (CHEMBL4228658) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccs1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H20F4N2O6S/c23-12-8-13(24)19(26)20(18(12)25)34-10-15(29)14(9-17(30)31)27-21(32)11-3-5-28(6-4-11)22(33)16-2-1-7-35-16/h1-2,7-8,11,14H,3-6,9-10H2,(H,27,32)(H,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461506 (CHEMBL4227628) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1Cl)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O7/c25-13-3-1-2-4-18(13)38-24(36)31-7-5-12(6-8-31)23(35)30-16(10-19(33)34)17(32)11-37-22-20(28)14(26)9-15(27)21(22)29/h1-4,9,12,16H,5-8,10-11H2,(H,30,35)(H,33,34)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50578014 (CHEMBL4872952) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461505 (CHEMBL4228438) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H22F6N2O6/c23-12-5-13(24)18(26)19(17(12)25)36-9-15(31)14(6-16(32)33)29-20(34)10-1-3-30(4-2-10)21(35)11-7-22(27,28)8-11/h5,10-11,14H,1-4,6-9H2,(H,29,34)(H,32,33)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461520 (CHEMBL4226868) Show SMILES CCCCCC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C23H28F4N2O6/c1-2-3-4-5-18(31)29-8-6-13(7-9-29)23(34)28-16(11-19(32)33)17(30)12-35-22-20(26)14(24)10-15(25)21(22)27/h10,13,16H,2-9,11-12H2,1H3,(H,28,34)(H,32,33)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461494 (CHEMBL4228922) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O6/c25-14-3-1-13(2-4-14)24(36)31-7-5-12(6-8-31)23(35)30-17(10-19(33)34)18(32)11-37-22-20(28)15(26)9-16(27)21(22)29/h1-4,9,12,17H,5-8,10-11H2,(H,30,35)(H,33,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461501 (CHEMBL4226499) Show SMILES CC(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C21H24F4N2O6/c1-10(2)21(32)27-5-3-11(4-6-27)20(31)26-14(8-16(29)30)15(28)9-33-19-17(24)12(22)7-13(23)18(19)25/h7,10-11,14H,3-6,8-9H2,1-2H3,(H,26,31)(H,29,30)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461517 (CHEMBL4224702) Show SMILES CC(C)(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H26F4N2O6/c1-22(2,3)21(33)28-6-4-11(5-7-28)20(32)27-14(9-16(30)31)15(29)10-34-19-17(25)12(23)8-13(24)18(19)26/h8,11,14H,4-7,9-10H2,1-3H3,(H,27,32)(H,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461523 (CHEMBL4228349) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H22F4N2O6/c25-15-10-16(26)21(28)22(20(15)27)36-12-18(31)17(11-19(32)33)29-23(34)13-6-8-30(9-7-13)24(35)14-4-2-1-3-5-14/h1-5,10,13,17H,6-9,11-12H2,(H,29,34)(H,32,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461521 (CHEMBL4227309) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H22F4N2O7/c25-15-10-16(26)21(28)22(20(15)27)36-12-18(31)17(11-19(32)33)29-23(34)13-6-8-30(9-7-13)24(35)37-14-4-2-1-3-5-14/h1-5,10,13,17H,6-9,11-12H2,(H,29,34)(H,32,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461519 (CHEMBL4228290) Show SMILES Cc1ccccc1OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C25H24F4N2O7/c1-13-4-2-3-5-19(13)38-25(36)31-8-6-14(7-9-31)24(35)30-17(11-20(33)34)18(32)12-37-23-21(28)15(26)10-16(27)22(23)29/h2-5,10,14,17H,6-9,11-12H2,1H3,(H,30,35)(H,33,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50578001 (CHEMBL4855785) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461497 (CHEMBL4226345) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)OC1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C23H26F4N2O7/c24-14-9-15(25)20(27)21(19(14)26)35-11-17(30)16(10-18(31)32)28-22(33)12-5-7-29(8-6-12)23(34)36-13-3-1-2-4-13/h9,12-13,16H,1-8,10-11H2,(H,28,33)(H,31,32)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461499 (CHEMBL4228280) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1F)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21F5N2O7/c25-13-3-1-2-4-18(13)38-24(36)31-7-5-12(6-8-31)23(35)30-16(10-19(33)34)17(32)11-37-22-20(28)14(26)9-15(27)21(22)29/h1-4,9,12,16H,5-8,10-11H2,(H,30,35)(H,33,34)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461493 (CHEMBL4227888) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C26H22F4N2O6S/c27-15-10-16(28)23(30)24(22(15)29)38-12-18(33)17(11-21(34)35)31-25(36)13-5-7-32(8-6-13)26(37)20-9-14-3-1-2-4-19(14)39-20/h1-4,9-10,13,17H,5-8,11-12H2,(H,31,36)(H,34,35)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461518 (CHEMBL4227988) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC(F)(F)CC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H26F6N2O6/c25-14-9-15(26)20(28)21(19(14)27)38-11-17(33)16(10-18(34)35)31-22(36)12-3-7-32(8-4-12)23(37)13-1-5-24(29,30)6-2-13/h9,12-13,16H,1-8,10-11H2,(H,31,36)(H,34,35)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461488 (CHEMBL4228603) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1noc2ccccc12)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C25H21F4N3O7/c26-14-9-15(27)21(29)23(20(14)28)38-11-17(33)16(10-19(34)35)30-24(36)12-5-7-32(8-6-12)25(37)22-13-3-1-2-4-18(13)39-31-22/h1-4,9,12,16H,5-8,10-11H2,(H,30,36)(H,34,35)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461530 (CHEMBL4227032) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)s1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H19ClF4N2O6S/c23-16-2-1-15(36-16)22(34)29-5-3-10(4-6-29)21(33)28-13(8-17(31)32)14(30)9-35-20-18(26)11(24)7-12(25)19(20)27/h1-2,7,10,13H,3-6,8-9H2,(H,28,33)(H,31,32)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461504 (CHEMBL4226512) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)COc1c(F)c(F)cc(F)c1F |r,TLB:14:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C28H32F4N2O6/c29-18-8-19(30)24(32)25(23(18)31)40-13-21(35)20(9-22(36)37)33-26(38)17-1-3-34(4-2-17)27(39)28-10-14-5-15(11-28)7-16(6-14)12-28/h8,14-17,20H,1-7,9-13H2,(H,33,38)(H,36,37)/t14?,15?,16?,20-,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50578010 (CHEMBL4860265) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461500 (CHEMBL4224986) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccon1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C21H19F4N3O7/c22-11-7-12(23)18(25)19(17(11)24)34-9-15(29)14(8-16(30)31)26-20(32)10-1-4-28(5-2-10)21(33)13-3-6-35-27-13/h3,6-7,10,14H,1-2,4-5,8-9H2,(H,26,32)(H,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461498 (CHEMBL4227101) Show SMILES COc1ccccc1OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C25H24F4N2O8/c1-37-18-4-2-3-5-19(18)39-25(36)31-8-6-13(7-9-31)24(35)30-16(11-20(33)34)17(32)12-38-23-21(28)14(26)10-15(27)22(23)29/h2-5,10,13,16H,6-9,11-12H2,1H3,(H,30,35)(H,33,34)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50094519 ((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...) Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.				J Med Chem 45: 3891-904 (2002) BindingDB Entry DOI: 10.7270/Q2JW8D7P
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50094519 ((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...) Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Discovery Research Curated by ChEMBL					Assay Description Inhibition of recombinant human CETP-mediated transfer of [3H]-CE from HDL to LDL				J Med Chem 43: 4575-8 (2001) BindingDB Entry DOI: 10.7270/Q2X0669S
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50578021 (CHEMBL4857229) Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01148 BindingDB Entry DOI: 10.7270/Q2154MVT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461513 (CHEMBL4228595) Show SMILES CC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C29H31F4N3O7/c1-29(2,3)16-8-4-5-9-19(16)34-27(41)28(42)36-10-6-7-15(13-36)26(40)35-20(12-22(38)39)21(37)14-43-25-23(32)17(30)11-18(31)24(25)33/h4-5,8-9,11,15,20H,6-7,10,12-14H2,1-3H3,(H,34,41)(H,35,40)(H,38,39)/t15-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461496 (CHEMBL4227507) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccccc1Cl)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O6/c25-14-4-2-1-3-13(14)24(36)31-7-5-12(6-8-31)23(35)30-17(10-19(33)34)18(32)11-37-22-20(28)15(26)9-16(27)21(22)29/h1-4,9,12,17H,5-8,10-11H2,(H,30,35)(H,33,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461495 (CHEMBL4227831) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccc(Cl)c1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O6/c25-14-3-1-2-13(8-14)24(36)31-6-4-12(5-7-31)23(35)30-17(10-19(33)34)18(32)11-37-22-20(28)15(26)9-16(27)21(22)29/h1-3,8-9,12,17H,4-7,10-11H2,(H,30,35)(H,33,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461524 (CHEMBL4225592) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1C(F)(F)F)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C25H21F7N2O7/c26-14-9-15(27)21(29)22(20(14)28)40-11-17(35)16(10-19(36)37)33-23(38)12-5-7-34(8-6-12)24(39)41-18-4-2-1-3-13(18)25(30,31)32/h1-4,9,12,16H,5-8,10-11H2,(H,33,38)(H,36,37)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair

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